Orbital projection technique to explore the materials genomes of optical susceptibilities & nbsp;& nbsp;
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Experimental and Theoretical Characterization of the Magnetic Properties of CuF2(H2O)(2)(pyz) (pyz = pyrazine): A Two-Dimensional Quantum Magnet Arising from Supersuperexchange Interactions through Hydrogen Bonded Paths. CHEMISTRY OF MATERIALS, 20(24), 7408–7416. https://doi.org/10.1021/cm8016566 Mentre, O., Koo, H. J., & Whangbo, M.-H. (2008). Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9 and Pb(2)AS(2)VO(9). CHEMISTRY OF MATERIALS, 20(22), 6929–6938. https://doi.org/10.1021/cm800924j Suh, Y., Park, S. S., Kang, J., Hwang, Y. G., Jung, D., Kim, D. H., … Whangbo, M. H. (2008). Investigation of the scanning tunneling microscopy image, the stacking pattern and the bias-voltage dependent structural imstability of 2,2'-bipyridine molecules adsorbed on Au(111) in terms of electronic structure calculations. Bulletin of the Korean Chemical Society, 29(2), 438–444. 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ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 633(9), 1464–1471. https://doi.org/10.1002/zaac.200700126 Belik, A. A., Koo, H.-J., Whangbo, M.-H., Tsujii, N., Naumov, P., & Takayama-Muromachi, E. (2007). Magnetic properties of synthetic libethenite Cu2PO4OH: a new spin-gap system. INORGANIC CHEMISTRY, 46(21), 8684–8689. https://doi.org/10.1021/ic7008418 Lee, C., Whangbo, M.-H., & Villesuzanne, A. (2007). On the electronic structure required for the uniaxial magnetic properties of the magnetic metal SrCo6O11. CHEMISTRY OF MATERIALS, 19(11), 2712–2714. https://doi.org/10.1021/cm0706191 Koehler, J., Deng, S., Lee, C., & Whangbo, M.-H. (2007). On the origin of a band gap in compounds of diamond-like structures. INORGANIC CHEMISTRY, 46(6), 1957–1959. https://doi.org/10.1021/ic062256x Clabau, F., Rocquefelte, X., Jobic, S., Deniard, P., Whangbo, M.-H., Garcia, A., & Le Mercier, T. (2007, July). On the phosphorescence mechanism in SrAl2O4 : Eu2+ and its codoped derivatives. SOLID STATE SCIENCES, Vol. 9, pp. 608–612. https://doi.org/10.1016/j.solidstatesciences.2007.03.020 Koo, H.-J., Lee, C., Wilson-Short, G. B., Dai, D., & Whangbo, M.-H. (2007). On the relevance of an antiferromagnetic dimer model for the spin-gapped magnetic solids Cu(terpy)Mo2O7 and Cu(OH)(p-pyc)H2O. INORGANIC CHEMISTRY, 46(7), 2498–2502. https://doi.org/10.1021/ic061897p Lee, K. H., Dieckmann, R., Lee, C., & Whangbo, M.-H. (2007). Predicting anisotropic electrical conductivities of a magnetic insulator on the basis of its magnetic properties. CHEMISTRY OF MATERIALS, 19(18), 4393–4395. https://doi.org/10.1021/cm071481p Rocquefelte, X., Clabau, F., Paris, M., Deniard, P., Le Mercier, T., Jobic, S., & Whangbo, M.-H. (2007). Resolving the aluminum ordering in aluminosilicates by a combined experimental/theoretical study of Al-27 electric field gradients. INORGANIC CHEMISTRY, 46(14), 5456–5458. https://doi.org/10.1021/ic7004166 Koo, H.-J., & Whangbo, M.-H. (2007). Spin dimer analysis of the magnetic structures of A(2)V(3)O(9) (A = Ba, Sr) and eta-Na9V14O35: Importance of the V4+-O center dot center dot center dot O-V4+ super- superexchange interactions mediated by the O-V5+-O bridges. SOLID STATE SCIENCES, 9(9), 824–832. https://doi.org/10.1016/j.solidstatesciences.2007.06.013 Ben Yahia, H., Gaudin, E., Lee, C., Whangbo, M.-H., & Darriett, J. (2007). Structural and magnetic properties of a new type of ordered oxygen-deficient perovskite, KMnVO4. CHEMISTRY OF MATERIALS, 19(23), 5563–5569. https://doi.org/10.1021/cm070452b Lee, C., Whangbo, M.-H., & Koehler, J. (2007). Stuffed graphite-like vs. stuffed diamond-like structures of the 18 valence electron compounds REAuSn (RE = sc, y, la-nd, sm, gd-lu). ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 633(15), 2631–2634. https://doi.org/10.1002/zaac.200700317 Koo, H. J., & Whangbo, M. H. (2007). Tight-binding electronic structure study of the beta '- and beta ''-phases of the organic conducting salts (BEDT-TTF)(2)(IBr2)(0.2)(BrICI)(0.1)(ICI2)(0.7)]. Bulletin of the Korean Chemical Society, 28(2), 241–245. Manson, J. L., Lancaster, T., Schlueter, J. A., Blundell, S. J., Brooks, M. L., Pratt, F. L., … Whangbo, M.-H. (2007). Characterization of the crystal and magnetic structures of the mixed-anion coordination polymer Cu(HCO2)(NO3)(pyz) {pyz = pyrazine} by X-ray diffraction, ac magnetic susceptibility, dc magnetization, muon-spin relaxation, and spin dimer analysis. INORGANIC CHEMISTRY, 46(1), 213–220. https://doi.org/10.1021/ic061590q Ben Yahia, H., Gaudin, E., Darriet, J., Dai, D., & Whangbo, M.-H. (2006). Comparison of the crystal structures and magnetic properties of the low- and high-temperature forms of AgCuPO4: Crystal structure determination, magnetic susceptibility measurements, and spin dimer analysis. INORGANIC CHEMISTRY, 45(14), 5501–5509. https://doi.org/10.1021/ic060484l Dai, D., Whangbo, M.-H., Koehler, J., Hoch, C., & Villesuzanne, A. (2006). Electronic structure analysis of the difference between Cs2AgF4 and Rb2MnF4 in their magnetic properties and single-crystal structure determination of Rb2MnF4. CHEMISTRY OF MATERIALS, 18(14), 3281–3286. https://doi.org/10.1021/cm060465+ Clabau, F., Rocquefelte, X., Le Mercier, T., Deniard, P., Jobic, S., & Whangbo, M.-H. (2006). Formulation of phosphorescence mechanisms in inorganic solids based on a new model of defect conglomeration. CHEMISTRY OF MATERIALS, 18(14), 3212–3220. https://doi.org/10.1021/cm052728q Koo, H.-J., & Whangbo, M.-H. (2006). Importance of the O-M-O bridges (M = V5+, Mo6+) for the spin-exchange interactions in the magnetic oxides of Cu2+ ions bridged by MO4 tetrahedra: Spin-lattice models of Rb2Cu2(MoO4)(3), BaCu2V2O8, and KBa3Ca4Cu3V7O28. INORGANIC CHEMISTRY, 45(11), 4440–4447. https://doi.org/10.1021/ic060392w Whangbo, M. H., Dai, D. D., Lee, K. S., & Kremer, R. K. (2006). On the conflicting pictures of magnetism for the frustrated triangular lattice antiferromagnet CuFeO2. CHEMISTRY OF MATERIALS, 18(5), 1268–1274. https://doi.org/10.1021/cm052634g Whangbo, M.-H., & Dai, D. (2006). On the disorder of the Cl atom position in and its probable effect on the magnetic properties of (CuCl)LaNb2O7. INORGANIC CHEMISTRY, 45(16), 6227–6234. https://doi.org/10.1021/ic060104w Whangbo, M.-H., Dai, D., & Kremer, R. K. (2006). On the origin of the metallic and anisotropic magnetic properties of NaxCoO2 (x approximate to 0.75). INORGANIC CHEMISTRY, 45(15), 5989–5995. https://doi.org/10.1021/ic060691l Rocquefelte, X., Jobic, S., & Whangbo, M. H. (2006). On the volume-dependence of the index of refraction from the viewpoint of the complex dielectric function and the Kramers-Kronig relation. JOURNAL OF PHYSICAL CHEMISTRY B, 110(6), 2511–2514. https://doi.org/10.1021/jp055445u Koo, H.-J., Lee, K.-S., & Whangbo, M.-H. (2006). Spin dimer analysis of the magnetic structures of Ba3Cr2O8, Ba3Mn2O8, Na4FeO4, and Ba2CoO4 with a three-dimensional network of isolated MO4 (M = Cr, Mn, Fe, Co) tetrahedra. INORGANIC CHEMISTRY, 45(26), 10743–10749. https://doi.org/10.1021/ic061773c Deisenhofer, J., Eremina, R. M., Pimenov, A., Gavrilova, T., Berger, H., Johnsson, M., … Whangbo, M.-H. (2006). Structural and magnetic dimers in the spin-gapped system CuTe2O5. PHYSICAL REVIEW B, 74(17). https://doi.org/10.1103/physrevb.74.174421 Whangbo, M. H., & Subramanian, M. A. (2006). Structural model of planar defects in CaCu3Ti4O12 exhibiting a giant dielectric constant. CHEMISTRY OF MATERIALS, 18(14), 3257–3260. https://doi.org/10.1021/cm060323f Wang, L., Hung, Y. C., Hwu, S. J., Koo, H. J., & Whangbo, M. H. (2006). Synthesis, structure, and properties of a new family of mixed-framework chalcohalide semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I). CHEMISTRY OF MATERIALS, 18(5), 1219–1225. https://doi.org/10.1021/cm0522230 Whangbo, M.-H., Lee, C., & Koehler, J. (2006). Transition-metal anions in solids and their implications on bonding. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 45(44), 7465–7469. https://doi.org/10.1002/anie.200602712 Manson, J. L., Conner, M. M., Schlueter, J. A., Lancaster, T., Blundell, S. J., Brooks, M. L., … Whangbo, M. H. (2006). [Cu(HF2)(pyz)(2)]BF4 (pyz=pyrazine): long-range magnetic ordering in a pseudo-cubic coordination polymer comprised of bridging HF2- and pyrazine ligands. Chemical Communications (Cambridge, England), (47), 4894–4896. Dai, D., Whangbo, M. H., Ugrinov, A., Sevov, S. C., Wang, F., Li, L. M., … Buenker, R. J. (2005). Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi-2(2-) anion in (K-crypt)(2)Bi-2 on the basis of relativistic electronic structure calculations. JOURNAL OF PHYSICAL CHEMISTRY A, 109(8), 1675–1683. https://doi.org/10.1021/jp044675q Rocquefelte, X., Goubin, F., Montardi, Y., Viadere, N., Demourgues, A., Tressaud, A., … Jobic, S. (2005). Analysis of the refractive indices of TiO2, TiOF2, and TiF4: Concept of optical channel as a guide to understand and design optical materials. INORGANIC CHEMISTRY, 44(10), 3589–3593. https://doi.org/10.1021/ic048259w Dal, D., Whangbo, M. H., Koo, H. J., Rocquefelte, X., Jobic, S., & Villesuzanne, A. (2005). Analysis of the spin exchange interactions and the ordered magnetic structures of lithium transition metal phosphates LiMPO4 (M = Mn, Fe, Co, Ni) with the olivine structure. INORGANIC CHEMISTRY, 44(7), 2407–2413. https://doi.org/10.1021/ic048431w Dai, D. D., & Whangbo, M. H. (2005). Analysis of the uniaxial magnetic properties of high-spin d(6) ions at trigonal prism and linear two-coordinate sites: Uniaxial magnetic properties of Ca3Co2O6 and Fe[C(SiMe3)(3)](2). INORGANIC CHEMISTRY, 44(12), 4407–4414. https://doi.org/10.1021/ic050185g Kohler, J., Chang, J. H., & Whangbo, M. H. (2005). Bonding and oxidation state of a transition metal atom encapsulated in an isolated octahedral cluster cation of main group elements: Synthesis, crystal structure, and electronic structure of Pt2In14Ga3O8F15 containing highly positive 18-electron complex [PtIn6](10+) and low-valent in(+) ions. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127(7), 2277–2284. https://doi.org/10.1021/ja044389s Woodward, J. D., Backov, R. V., Abboud, K. A., Dai, D., Koo, H. J., Whangbo, M. H., … Talham, D. R. (2005). Dramatic variation of magnetic exchange through double end-on azide bridges in a series of ladder-like copper(II) coordination polymers. INORGANIC CHEMISTRY, 44(3), 638–648. https://doi.org/10.1021/ic049175q Koo, H. J., Dai, D., & Whangbo, M. H. (2005). Importance of supersuperexchange interactions in determining the dimensionality of magnetic properties. Determination of strongly interacting spin exchange paths in A(2)CU(PO4)(2) (A = Ba, Sr), ACuP(2)O(7) (Ba, Ca, Sr, Pb), CaCuGe2O6, and Cu2UO2(PO4)(2) on the basis of qualitative spin dimer analysis. INORGANIC CHEMISTRY, 44(12), 4359–4365. https://doi.org/10.1021/ic050159i Belik, A. A., Azuma, M., Matsuo, A., Whangbo, M. H., Koo, H. J., Kikuchi, J., … Takano, M. (2005). Investigation of the crystal structure and the structural and magnetic properties of SrCu2(PO4)(2). INORGANIC CHEMISTRY, 44(19), 6632–6640. https://doi.org/10.1021/ic051079h Lee, K. H., Suh, Y., Lee, C., Hwang, Y. G., Koo, H. J., & Whangbo, M. H. (2005). Investigation of the scanning tunneling microscopy image, the stacking pattern, and the bias-voltage-dependent structural instability of 1,10 '-phenanthroline molecules adsorbed on Au(111) in terms of electronic structure calculations. JOURNAL OF PHYSICAL CHEMISTRY B, 109(32), 15322–15326. https://doi.org/10.1021/jp051248j Kim, S. H., Seo, D. K., Kremer, R. K., Kohler, M., Villesuzanne, A., & Whangbo, M. H. (2005). Large negative magnetoresistance of the rare-earth transition-metal intermetallic compound PrMnSi2. CHEMISTRY OF MATERIALS, 17(25), 6338–6341. https://doi.org/10.1021/cm051669d Clabau, F., Rocquefelte, X., Jobic, S., Deniard, P., Whangbo, M. H., Garcia, A., & Le Mercier, T. (2005). Mechanism of phosphorescence appropriate for the long-lasting phosphors Eu2+-doped SrAl2O4 with codopants Dy3+ and B3+. CHEMISTRY OF MATERIALS, 17(15), 3904–3912. https://doi.org/10.1021/cm050763r Kim, S. H., Seo, D. K., Kremer, R. K., Kohler, J., Villesuzanne, A., & Whangbo, M. H. (2005). Observation of unusual hysteretic magnetic properties of the rare earth intermetallic compound PrMnSi2: Magnetic susceptibility, magnetization, heat capacity, and electronic band structure studies. CHEMISTRY OF MATERIALS, 17(14), 3711–3716. https://doi.org/10.1021/cm050622p Villesuzanne, A., Whangbo, M. H., Subramanian, M. A., & Matar, S. F. (2005). Spin dimer and electronic band structure analyses of the ferromagnetism versus antiferromagnetism in SeCuO3 and TeCuO3. CHEMISTRY OF MATERIALS, 17(17), 4350–4355. https://doi.org/10.1021/cm050885j Whangbo, M. H., Dai, D., & Koo, H. J. (2005). Spin dimer, electronic band structure and classical spin analyses of spin exchange interactions and ordered magnetic structures of magnetic solids. SOLID STATE SCIENCES, 7(7), 827–852. https://doi.org/10.1016/j.solidstatesciences.2005.02.009 Rocquefelte, X., Whangbo, M. H., & Jobic, S. (2005). Structural and electronic factors controlling the refractive indices of the chalcogenides ZnQ and CdQ (Q = O, S, Se, Te). INORGANIC CHEMISTRY, 44(10), 3594–3598. https://doi.org/10.1021/ic048352k Kohler, J., Friedrich, H., Whangbo, M. H., & Villesuzanne, A. (2005). Synthesis and characterization of [PtIn6](GeO4)(2)O and its solid solution [PtIn6](GaO4)(2-x)(GeO4)(x)O-x/2 (0 <= x <= 2): Gradual color change of the solid solution from black (x=0) to yellow (x=2) as a consequence of quantum dot effect. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127(37), 12990–12996. https://doi.org/10.1021/ja053280x Yahia, H. B., Gaudin, E., Darriet, J., Banks, M., Kremer, R. K., Villesuzanne, A., & Whangbo, M. H. (2005). Synthesis, crystal structure, magnetic properties, and electronic structure of the new ternary vanadate CuMnVO4. INORGANIC CHEMISTRY, 44(9), 3087–3093. https://doi.org/10.1021/ic048244y Xu, J. X., Assoud, A., Soheilnia, N., Derakhshan, S., Cuthbert, H. L., Greedan, J. E., … Kleinke, H. (2005). Synthesis, structure, and magnetic properties of the layered copper(II) oxide Na2Cu2TeO6. INORGANIC CHEMISTRY, 44(14), 5042–5046. https://doi.org/10.1021/ic0502832 Cao, J., Haraldsen, J. T., Brown, S., Musfeldt, J. L., Thompson, JR, Zvyagin, S., … Torardi, C. C. (2005). Understanding low-energy magnetic excitations and hydrogen bonding in VOHPO4 center dot(2H2O)-H-1. PHYSICAL REVIEW B, 72(21). https://doi.org/10.1103/physrevb.72.214421 Woodward, J. D., Choi, J., Musfeldt, J. L., Haraldsen, J. T., Wei, X., Koo, H. J., … Turnbull, M. M. (2005). Understanding the color properties of (C5H9NH3)(2)CuBr4 in high magnetic fields. PHYSICAL REVIEW B, 71(17). https://doi.org/10.1103/physrevb.71.174416 Villesuzanne, A., Whangbo, M. H., & Koo, H. J. (2005). Unpaired spin populations and spin-pairing tendencies of the nonequivalent vanadium sites of the magnetic metal NaV6O11 investigated by electronic band structure calculations and spin dimer analysis. CHEMISTRY OF MATERIALS, 17(17), 4344–4349. https://doi.org/10.1021/cm050666y Soulard, C., Petit, P. E., Deniard, P., Evain, M., Jobic, S., Whangbo, M. H., & Dhaussy, A. C. (2005). Why pressure induces an abrupt structural rearrangement in PdTe2 but not in PtTe2. JOURNAL OF SOLID STATE CHEMISTRY, 178(6), 2008–2014. https://doi.org/10.1016/j.jssc.2005.04.008 Dai, D. D., & Whangbo, M. H. (2004). Classical spin and quantum-mechanical descriptions of geometric spin frustration. JOURNAL OF CHEMICAL PHYSICS, 121(2), 672–680. https://doi.org/10.1063/1.1760749 Goubin, F., Rocquefelte, X., Whangbo, M. H., Montardi, Y., Brec, R., & Jobic, S. (2004). Experimental and theoretical characterization of the optical properties of CeO2, SrCeO3, and Sr2CeO4 containina Ce4+ (f(0)) ions. CHEMISTRY OF MATERIALS, 16(4), 662–669. https://doi.org/10.1021/cm034618u Soulard, C., Rocquefelte, X., Petit, P. E., Evain, M., Jobic, S., Itie, J. P., … Whangbo, M. H. (2004). Experimental and theoretical investigation on the relative stability of the PdS2- and pyrite-type structures of PdSe2. Inorganic Chemistry, 43(6), 1943–1949. https://doi.org/10.1021/ic035396 Ammar, A., Menetrier, M., Villesuzanne, A., Matar, S., Chevalier, B., Etourneau, J., … Whangbo, M. H. (2004). Investigation of the electronic and structural properties of potassium hexaboride, KB6, by transport, magnetic susceptibility, EPR, and NMR measurements, temperature-dependent crystal structure determination, and electronic band structure calculations. INORGANIC CHEMISTRY, 43(16), 4974–4987. https://doi.org/10.1021/ic049444c Dai, D., Koo, H. J., & Whangbo, M. H. (2004). Investigation of the incommensurate and commensurate magnetic superstructures of LiCuVO4 and CuO on the basis of the isotropic spin exchange and classical spin approximations. INORGANIC CHEMISTRY, 43(13), 4026–4035. https://doi.org/10.1021/ic035314c Rocquefelte, X., Goubin, F., Koo, H. J., Whangbo, M. H., & Jobic, S. (2004). Investigation of the origin of the empirical relationship between refractive index and density on the basis of first principles calculations for the refractive indices of various TiO2 phases. INORGANIC CHEMISTRY, 43(7), 2246–2251. https://doi.org/10.1021/ic035383r Soulard, C., Rocquefelte, X., Evain, M., Jobic, S., Koo, H., & Whangbo, M. H. (2004). Investigation of the relative stabilities of various allotropic phases of elemental tellurium under pressure and their interconversion paths by electronic structure calculations and crystal structure analyses. JOURNAL OF SOLID STATE CHEMISTRY, 177(12), 4724–4731. https://doi.org/10.1016/j.jssc.2004.08.040 Choi, J., Woodward, J. D., Musfeldt, J. L., Wei, X., Whangbo, M. H., He, J., … Mandrus, D. (2004). Magneto-optical properties of Li0.9Mo6O17: Color change in applied magnetic field. PHYSICAL REVIEW B, 70(8). https://doi.org/10.1103/physrevb.70.085107 Manson, J. L., Schlueter, J. A., Koo, H. J., & Whangbo, M. H. (2004). Reexamination of the magnetic properties of Cu-2(dca)(4)(2,5-me(2)pyz) {dca = dicyanamide; me(2)pyz = dimethylpyrazine}: isolated spin-1/2 dimers versus long-range magnetic ordering. INORGANIC CHEMISTRY, 43(13), 4007–4011. https://doi.org/10.1021/ic0354769 Whangbo, M. H., Dai, D., & Koo, H. J. (2004). Spin dimer and classical spin analyses of the ordered magnetic structures of alkali iron pyrophosphates NaFeP2O7 and LiFeP2O7. Dalton Transactions (Cambridge, England : 2003), (19), 3019–3025. Shikano, M., Kremer, R. K., Ahrens, M., Koo, H. J., Whangbo, M. H., & Darriet, J. (2004). Synthesis and characterization of a magnetic semiconductor Na2RuO4 containing one-dimensional chains of RU6+. Inorganic Chemistry, 43(1), 07-. Goubin, F., Guenee, L., Deniard, P., Koo, H. J., Whangbo, M. H., Montardi, Y., & Jobic, S. (2004). Synthesis, optical properties and electronic structures of polyoxometalates K3P(Mo1-xWx)(12)O-40 (0 <= x <= 1). JOURNAL OF SOLID STATE CHEMISTRY, 177(12), 4528–4534. https://doi.org/10.1016/j.jssc.2004.08.046 Whangbo, M. H., Koo, H. J., Dai, D., & Villesuzanne, A. (2003). A discussion on the apparently puzzling structural, electrical and magnetic properties of BaVS3. JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 384–388. https://doi.org/10.1016/S0022-4596(03)00346-3 Dai, D., Koo, H. J., & Whangbo, M. H. (2003). Analysis of the spin exchange interactions of ferromagnetic CdVO3 in terms of first principles and qualitative electronic structure calculations. JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 341–347. https://doi.org/10.1016/S0022-4596(03)00307-4 Manson, J. L., Lecher, J. G., Gu, J. Y., Geiser, U., Schlueter, J. A., Henning, R., … Whangbo, M. H. (2003). Cu(HCO2)(2)L {L = pyrazine, 4,4 '-bipyridine}: employing the formate anion as a building block in three-dimensional coordination polymers. DALTON TRANSACTIONS, (14), 2905–2911. https://doi.org/10.1039/b302631k Whangbo, M. H., Koo, H. J., Dai, D., & Jung, D. (2003). Interpretation of the magnetic structures of Cu2Te2O5X2 (X = Cl, Br) and Ca3.1Cu0.9RuO6 on the basis of electronic structure considerations: Cases for strong super-superexchange interactions involving Cu2+ ions. Inorganic Chemistry, 42(12), 3898–3906. https://doi.org/10.1021/ic020551 Koo, H. J., Whangbo, M. H., & Lee, K. (2003). Investigation of the spin exchange interactions and magnetic structures of the CrVO4-type transition metal phosphates, sulfates, and vanadates by spin dimer analysis. INORGANIC CHEMISTRY, 42(19), 5932–5937. https://doi.org/10.1021/ic030115e Whangbo, M. H., Dai, D., Koo, H. J., & Jobic, S. (2003). Investigations of the oxidation states and spin distributions in Ca3Co2O6 and Ca3CoRhO6 by spin-polarized electronic band structure calculations. SOLID STATE COMMUNICATIONS, 125(7-8), 413–417. https://doi.org/10.1016/S0038-1098(02)00872-4 Koo, H. J., & Whangbo, M. H. (2003). Magnetic superstructures of cupric oxide CuO as ordered arrangements of one-dimensional antiferromagnetic chains. INORGANIC CHEMISTRY, 42(4), 1187–1192. https://doi.org/10.1021/ic020576k Soulard, C., Rocquefelte, X., Jobic, S., Dai, D., Koo, H. J., & Whangbo, M. H. (2003). Metal-ligand bonding and rutile- versus CdI2-type structural preference in platinum dioxide and titanium dioxide. JOURNAL OF SOLID STATE CHEMISTRY, 175(2), 353–358. https://doi.org/10.1016/S0022-4596(03)00323-2 Whangbo, M. H., Koo, H. J., & Dai, D. (2003). [Review of Spin exchange interactions and magnetic structures of extended magnetic solids with localized spins: theoretical descriptions on formal, quantitative and qualitative levels]. JOURNAL OF SOLID STATE CHEMISTRY, 176(2), 417–481. https://doi.org/10.1016/S0022-4596(03)00273-1 Gauthier, G., Jobic, S., Evain, M., Koo, H. J., Whangbo, M. H., Fouassier, C., & Brec, R. (2003). Syntheses, structures, and optical properties of yellow Ce2SiS5, Ce6Si4S17, and Ce4Si3S12 materials. CHEMISTRY OF MATERIALS, 15(4), 828–837. https://doi.org/10.1021/cm0211711 Montgomery, L. K., Starkey, K. P., Engel, D. B., Bollinger, J., Tittelbach, M., Schweitzer, D., … Whangbo, M. H. (2003, March 13). Synthesis of the highly ID conductor (THTTF)(4)I-19. SYNTHETIC METALS, Vol. 133, pp. 381–383. https://doi.org/10.1016/S0379-6779(02)00409-5 Shultz, D. A., Vostrikova, K. E., Bodnar, S. H., Koo, H. J., Whangbo, M. H., Kirk, M. L., … Kampf, J. W. (2003). Trends in metal-biradical exchange interaction for first-row M-II(nitronyl nitroxide-semiquinone) complexes. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 125(6), 1607–1617. https://doi.org/10.1021/ja020715x Dai, D., Koo, H. J., Whangbo, M. H., Soulard, C., Rocquefelte, X., & Jobic, S. (2003). Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ(2) (Q = O, S, Se, Te). JOURNAL OF SOLID STATE CHEMISTRY, 173(1), 114–121. https://doi.org/10.1016/s0022-4596(03)00100-2 Etourneau, J., Ammar, A., Villesuzanne, A., Villeneuve, G., Chevalier, B., & Whangbo, M. H. (2003). Unusual hysteresis in the magnetic susceptibility of cubic hexaboride KB6. INORGANIC CHEMISTRY, 42(14), 4242–4244. https://doi.org/10.1021/ic034018x Deplano, P., Leoni, L., Mercuri, M. L., Schlueter, J. A., Geiser, U., Wang, H. H., … Whangbo, M. H. (2002). A two-dimensional radical salt based upon BEDT-TTF and the dimeric, magnetic anion [Fe(tdas)(2)](2)(2-): (BEDT-TTF)(2)[Fe(tdas)(2)] (tdas=1,2,5-thiadiazole-3,4-dithiolate). JOURNAL OF MATERIALS CHEMISTRY, 12(12), 3570–3577. https://doi.org/10.1039/b204435h Whangbo, M. H., Koo, H. J., Dai, D., & Villesuzanne, A. (2002). Analysis of the electron localization, the anisotropy of electrical conductivity, the orbital ordering, and spin-exchange interactions in BaVS3 on the basis of first principles and semi-empirical electronic structure calculations. JOURNAL OF SOLID STATE CHEMISTRY, 165(2), 345–358. https://doi.org/10.1006/jssc.2002.9550 Zhu, Z. T., Musfeldt, J. L., Koo, H. J., Whangbo, M. H., Teweldemedhin, Z. S., & Greenblatt, M. (2002). Dimensionality effects on the optical properties of (PO2)(4)(WO3)(2m) (m=2, 4, 6, 7). CHEMISTRY OF MATERIALS, 14(6), 2607–2615. https://doi.org/10.1021/cm011675j Whangbo, M. H., Koo, H. J., Dai, D., & Jung, D. (2002). Effect of metal-ligand bond lengths on superexchange interactions in Jahn-Teller d(4) ion systems: Spin dimer analysis of the magnetic structure of marokite CaMn2O4. INORGANIC CHEMISTRY, 41(21), 5575–5581. https://doi.org/10.1021/ic0202458 Whangbo, M. H., Koo, H. J., Villesuzanne, A., & Pouchard, M. (2002). Effect of metal-oxygen covalent bonding on the competition between Jahn-Teller distortion and charge disproportionation in the perovskites of high-spin d(4) metal ions LaMnO3 and CaFeO3. Inorganic Chemistry, 41(7), 1920–1929. https://doi.org/10.1021/ic0110427 Rozier, P., Galy, J., Chelkowska, G., Koo, H. J., & Whangbo, M. H. (2002). Electrical resistivity, magnetic susceptibility, X-ray photoelectron spectroscopy, and electronic band structure studies of Cu-2.33-xV4O11. JOURNAL OF SOLID STATE CHEMISTRY, 166(2), 382–388. https://doi.org/10.1006/jssc.2002.9609 Dumas, J., Tholence, J. L., Continentino, M., Fernandes, J. C., Guimaraes, R. B., & Whangbo, M. H. (2002, November). Electron paramagnetic resonance in the quasi-two dimensional magnetic ludwigite Fe3O2BO3. JOURNAL DE PHYSIQUE IV, Vol. 12, pp. 351–354. https://doi.org/10.1051/jo4:20020435 Koo, H. J., Whangbo, M. H., VerNooy, P. D., Torardi, C. C., & Marshall, W. J. (2002). Flux growth of vanadyl pyrophosphate, (VO)(2)P2O7, and spin dimer analysis of the spin exchange interactions of (VO)(2)P2O7 and vanadyl hydrogen phosphate, VO(HPO4)center dot 0.5H(2)O. INORGANIC CHEMISTRY, 41(18), 4664–4672. https://doi.org/10.1021/ic020249c Garlach, A. D., Musfeldt, J. L., Pigos, J. M., Jones, B. R., Olejniczak, I., Graja, A., … Gard, G. L. (2002). Local and spatial disorder in beta ''-(ET)(2)SF5RSO3 solid solutions (R = CH2CF2, CHF, CHFCF2). CHEMISTRY OF MATERIALS, 14(7), 2969–2976. https://doi.org/10.1021/cm010378b Clayhold, J. A., Ulutagay-Kartin, M., Hwu, S. J., Koo, H. J., Whangbo, M. H., Voigt, A., & Eaiprasertsak, K. (2002). Magnetic properties of the low-dimensional cuprate Na5RbCu4(AsO4)(4)Cl-2. Physical Review. B, Condensed Matter and Materials Physics, 66(5), 052403–052401. El Abed, A., Gaudin, E., Darriet, J., & Whangbo, M. H. (2002). Magnetic susceptibility and spin exchange interactions of the hexagonal perovskite-type oxides Sr-4/3(Mn2/3Ni1/3)O-3. JOURNAL OF SOLID STATE CHEMISTRY, 163(2), 513–518. https://doi.org/10.1006/jssc.2001.9439 Choi, J., Musfeldt, J. L., Wang, Y. J., Koo, H. J., Whangbo, M. H., Galy, J., & Millet, P. (2002). Optical investigation of Na2V3O7 nanotubes. CHEMISTRY OF MATERIALS, 14(2), 924–930. https://doi.org/10.1021/cm010965x Whangbo, M. H., & Koo, H. J. (2002). Orbital interaction analysis of cooperative Jahn-Teller distortion, orbital ordering, spin ordering, and spin exchange interactions in magnetic solids. SOLID STATE SCIENCES, 4(3), 335–346. https://doi.org/10.1016/S1293-2558(01)01261-4 Anokhina, E. V., Day, C. S., Meyer, H. J., Strobele, M., Kauzlarich, S. M., Kim, H., … Lachgar, A. (2002). Preparation, structure, and properties of a series of anisotropic oxychloride cluster compounds A(x)Nb(6)Cl(12)O(2) (A=K, Rb, Cs, or In). JOURNAL OF ALLOYS AND COMPOUNDS, 338(1-2), 218–228. https://doi.org/10.1016/S0925-8388(02)00234-7 Whangbo, M. H., & Koo, H. J. (2002). Spin dimer analysis of the spin exchange interactions in paramelaconite Cu4O3 and its analogue Ag2Cu2O3 and the spin ordering of the Cu2O3 spin lattice leading to their magnetic phase transitions. INORGANIC CHEMISTRY, 41(13), 3570–3577. https://doi.org/10.1021/ic020141x Koo, H. J., Whangbo, M. H., & Lee, K. S. (2002). [Review of Spin dimer analysis of the three-dimensional antiferromagnetic ordering in the quaternary manganese sulfides BaLn(2)MnS(5) (Ln = La, Ce, Pr)]. JOURNAL OF SOLID STATE CHEMISTRY, 169(2), 143–148. https://doi.org/10.1016/S0022-4596(02)00021-X Dai, D. D., & Whangbo, M. H. (2003). Spin exchange interactions of a spin dimer: Analysis of broken-symmetry spin states in terms of the eigenstates of Heisenberg and Ising spin Hamiltonians. JOURNAL OF CHEMICAL PHYSICS, 118(1), 29–39. https://doi.org/10.1063/1.1525809 Whangbo, M. H., Koo, H. J., Dumas, J., & Continentino, M. A. (2002). Theoretical investigation of the spin exchange interactions and magnetic properties of the homometallic ludwigite Fe3O2BO3. INORGANIC CHEMISTRY, 41(8), 2193–2201. https://doi.org/10.1021/ic010956q Schlueter, J. A., Geiser, U., Wang, H. H., Kini, A. M., Ward, B. H., Parakka, J. P., … Whangbo, M. H. (2002). Trifluoromethylsulfonyl-based salts of BEDT-TTF: Crystal and electronic structures and physical properties. JOURNAL OF SOLID STATE CHEMISTRY, 168(2), 524–534. https://doi.org/10.1006/jssc.2002.9750 Koo, H. J., Seo, D. K., & Whangbo, M. H. (2001). Consequence of the metal-atom clustering on the magnetic properties in vanadium sulfide V5S8. JOURNAL OF SOLID STATE CHEMISTRY, 160(1), 287–291. https://doi.org/10.1006/jssc.2001.9260 Schlueter, J. A., Ward, B. H., Geiser, U., Wang, H. H., Kini, A. M., Parakka, J., … Gard, G. L. (2001). Crystal structure, physical properties and electronic structure of a new organic conductor beta ''-(BEDT-TTF)(2)SF5CHFCF2SO3. JOURNAL OF MATERIALS CHEMISTRY, 11(8), 2008–2013. https://doi.org/10.1039/b008735l Jung, D., Koo, H. J., Dai, D., & Whangbo, M. H. (2001). Electronic structure study of scanning tunneling microscopy images of the rutile TiO2(110) surface and their implications on the surface relaxation. SURFACE SCIENCE, 473(3), 193–202. https://doi.org/10.1016/S0039-6028(00)00970-5 Rudko, G. Y., Long, V. C., Musfeldt, J. L., Koo, H. J., Whangbo, M. H., Revcolevschi, A., … Bernholdt, D. E. (2001). Electronic transitions in doped and undoped copper germanate. CHEMISTRY OF MATERIALS, 13(3), 939–944. https://doi.org/10.1021/cm000703f Koo, H. J., & Whangbo, M. H. (2001). Examination of the anisotropic spin exchange interactions of CuM2O6 (M = Sb, V, Nb) by spin dimer analysis. JOURNAL OF SOLID STATE CHEMISTRY, 156(1), 110–116. https://doi.org/10.1006/jssc.2000.8969 Gourdon, O., Jeanneau, E., Evain, M., Jobic, S., & Brec, R. (2001). Influence of the metal-metal sigma bonding on the structures and physical properties of the hexagonal perovskite-type sulfides Sr9/8TiS3,Sr8/7TiS3, and Sr-8/7[Ti6/7Fe1/7]S-3. JOURNAL OF SOLID STATE CHEMISTRY, 162(1), 103–112. https://doi.org/10.1006/jssc.2001.9361 Pigos, J. M., Jones, B. R., Zhu, Z. T., Musfeldt, J. L., Homes, C. C., Koo, H. J., … Gard, G. L. (2001). Infrared and optical properties of beta '-(ET)(2)SF5CF2SO3: Evidence for a 45 K spin peierls transition. CHEMISTRY OF MATERIALS, 13(4), 1326–1333. https://doi.org/10.1021/cm000839d Bar, G., Delineau, L., Hafele, A., & Whangbo, M. H. (2001). Investigation of the stiffness change in, the indentation force and the hydrophobic recovery of plasma-oxidized polydimethylsiloxane surfaces by tapping mode atomic force microscopy. POLYMER, 42(8), 3627–3632. https://doi.org/10.1016/s0032-3861(00)00738-2 Gourdon, O., Evain, M., Jobic, S., Brec, R., Koo, H. J., Whangbo, M. H., … Chauvet, O. (2001). On the origin of the root 7 x root 7 superstructure and the anomalous magnetic and transport properties of the layered compound Sr6V9S22O2. INORGANIC CHEMISTRY, 40(12), 2898–2904. https://doi.org/10.1021/ic001434y Whangbo, M. H., Koo, H. J., Lee, K. S., Gourdon, O., Evain, M., Jobic, S., & Brec, R. (2001). On the structural and electronic factors governing the magnetic properties of the hexagonal perovskite-type oxides A(x)BO(3) (A = Ca, Sr, Ba; B = Co, Ni). JOURNAL OF SOLID STATE CHEMISTRY, 160(1), 239–246. https://doi.org/10.1006/jssc.2001.9230 Olejniczak, I., Jones, B. R., Dong, J., Pigos, J. M., Zhu, Z., Garlach, A. D., … Gard, G. L. (2001, March 15). Optical studies of the beta ''-(ET)(2)SF5RSO3 (R=CH2CF2, CHFCF2 and CHF) system: chemical tuning of the counterion. SYNTHETIC METALS, Vol. 120, pp. 785–786. https://doi.org/10.1016/S0379-6779(00)00896-1 Koo, H. J., Whangbo, M. H., Coste, S., & Jobic, S. (2001). Spin dimer analysis for antiferromagnetic spin exchange interactions of magnetic solids with several unpaired electrons per spin site: Trends in the spin exchange parameters of the compounds consisting of MnF5 chains and CrX2 (X = O, S) layers. JOURNAL OF SOLID STATE CHEMISTRY, 156(2), 464–469. https://doi.org/10.1006/jssc.2000.9025 Koo, H. J., & Whangbo, M. H. (2001). Spin dimer analysis of the anisotropic spin exchange interactions in the distorted wolframite-type oxides CuWO4, CuMoO4-III, and Cu(Mo0.25W0.(75))O-4. INORGANIC CHEMISTRY, 40(9), 2161–2169. https://doi.org/10.1021/ic001445r Dai, D. D., & Whangbo, M. H. (2001). Spin-Hamiltonian and density functional theory descriptions of spin exchange interactions. JOURNAL OF CHEMICAL PHYSICS, 114(7), 2887–2893. https://doi.org/10.1063/1.1342758 Whangbo, M. H., & Koo, H. J. (2001). Structural and electronic features of BaIrO3 causing the simultaneous occurrence of weak ferromagnetism and charge density wave formation. SOLID STATE COMMUNICATIONS, 118(10), 491–495. https://doi.org/10.1016/S0038-1098(01)00166-1 Jobic, S., Brec, R., Pasturel, A., Koo, H. J., & Whangbo, M. H. (2001). Theoretical study of possible iridium ditelluride phases attainable under high pressure. Journal of Solid State Chemistry, 162(1), 63–68. https://doi.org/10.1006/jssc.2001.9341 Gourdon, O., Hanko, J., Boucher, F., Petricek, V., Whangbo, M. H., Kanatzidis, M. G., & Evain, M. (2000). A unique distortion in K(1/3)Ba(2/3)AgTe(2): X-ray diffraction determination and electronic band structure analysis of its incommensurately modulated structure. INORGANIC CHEMISTRY, 39(7), 1398–1409. https://doi.org/10.1021/ic991457g Whangbo, M. H., Koo, H. J., & Lee, K. S. (2000). Analysis of nearest-neighbor spin exchange interactions by molecular orbital calculations: anisotropic spin exchange interactions in MV3O7 (M = Cd, Ca, Sr) and alpha '-NaV2O5. Solid State Communications, 114(1), 27–32. https://doi.org/10.1016/s0038-1098(99)00571-2 Koo, H. J., & Whangbo, M. H. (2000). Analysis of the spin exchange interactions in the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3. JOURNAL OF SOLID STATE CHEMISTRY, 151(1), 96–101. https://doi.org/10.1006/jssc.2000.8627 Koo, H. J., & Whangbo, M. H. (2000). Analysis of the spin exchange interactions in the three phases of vanadium pyrophosphate, (VO)(2)P2O7, in terms of spin-orbital interaction energy. INORGANIC CHEMISTRY, 39(16), 3599–3604. https://doi.org/10.1021/ic000046t Bengel, H., Jobic, S., Moelo, Y., Lafond, A., Rouxel, J., Seo, D. K., & Whangbo, M. H. (2000). Distribution of the Pb and Sb atoms in the (Pb, Sb)S layers of the Franckeite-type misfit compound [(Pb, Sb)S](2.28)NbS2 examined by scanning tunneling and atomic force microscopy. JOURNAL OF SOLID STATE CHEMISTRY, 149(2), 370–377. https://doi.org/10.1006/jssc.1999.8552 Koo, H. J., Whangbo, M. H., Picard, S., Jobic, S., Potel, M., & Gougeon, P. (2000). Electronic band structure study of A(2)Mo(9)S(11) (A=K, Rb) and K1.8Mo9S11. JOURNAL OF SOLID STATE CHEMISTRY, 155(1), 124–128. https://doi.org/10.1006/jssc.2000.8912 Bar, G., Ganter, M., Brandsch, R., Delineau, L., & Whangbo, M. H. (2000). Examination of butadiene/styrene-co-butadiene rubber blends by tapping mode atomic force microscopy. Importance of the indentation depth and reduced tip-sample energy dissipation in tapping mode atomic force microscopy study of elastomers. LANGMUIR, 16(13), 5702–5711. https://doi.org/10.1021/la9913699 Bar, G., Brandsch, R., Bruch, M., Delineau, L., & Whangbo, M. H. (2000, January 1). Examination of the relationship between phase shift and energy dissipation in tapping mode atomic force microscopy by frequency-sweep and force-probe measurements. https://doi.org/10.1016/s0039-6028(99)00975-9 Delineau, L., Brandsch, R., Bar, G., & Whangbo, M. H. (2000, March 1). Harmonic responses of a cantilever interacting with elastomers in tapping mode atomic force microscopy. https://doi.org/10.1016/s0039-6028(00)00045-5 Bar, G., Delineau, L., Brandsch, R., Ganter, M., & Whangbo, M. H. (2000). Hysteresis in the distance-sweep curves of elastomers and its implications in tapping mode atomic force microscopy. SURFACE SCIENCE, 457(1-2), L404–L412. https://doi.org/10.1016/S0039-6028(00)00414-3 Whangbo, M. H., & Koo, H. J. (2000). Investigation of the spin exchange interactions in the nanotube system Na2V3O7 by spin dimer analysis. SOLID STATE COMMUNICATIONS, 115(12), 675–678. https://doi.org/10.1016/S0038-1098(00)00258-1 Schiller, M., Schmidt, W., Balthes, E., Schweitzer, D., Koo, H. J., Whangbo, M. H., … Strunz, W. (2000). Investigations of the Fermi surface of a new organic metal: (BEDT-TTF)(4)[Ni(dto)(2)]. EUROPHYSICS LETTERS, 51(1), 82–88. https://doi.org/10.1209/epl/i2000-00329-2 Hagrman, P. J., Laduca, R. L., Koo, H. J., Rarig, R., Haushalter, R. C., Whangbo, M. H., & Zubieta, J. (2000). Ligand influences on the structures of molybdenum oxide networks. Inorganic Chemistry, 39(19), 4311–4317. https://doi.org/10.1021/ic0004961 Manson, J. L., Huang, Q. Z., Lynn, J. W., Koo, H. J., Whangbo, M. H., Bateman, R., … Miller, J. S. (2001). Long-range magnetic order in Mn[N(CN)(2)](2)(pyz) {pyz =pyrazine} susceptibility, magnetization, specific heat, and neutron diffraction measurements and electronic structure calculations. Journal of the American Chemical Society, 123(1), 162–172. https://doi.org/10.1021/ja0024791 Bartlett, P. N., Essex, J. W., Koo, H. J., Nandhakumar, I. S., Robertson, N., & Whangbo, M. H. (2000). Molecular self-assembly on surfaces of organic conducting salts: Epitaxial monolayer films of naphthalene on the (001) surface of (TMTSF)(2)PF6. JOURNAL OF PHYSICAL CHEMISTRY B, 104(31), 7394–7402. https://doi.org/10.1021/jp000013z Jones, B. R., Olejniczak, I., Dong, J., Pigos, J. M., Zhu, Z. T., Garlach, A. D., … Gard, G. L. (2000). Optical spectra and electronic band structure calculations of beta ''-(ET)(2)SF5RSO3 (R = CH2CF2, CHFCF2, and CHF): Changing electronic properties by chemical tuning of the counterion. CHEMISTRY OF MATERIALS, 12(8), 2490–2495. https://doi.org/10.1021/cm000349l Whangbo, M. H., & Koo, H. J. (2000). Origin of the spin gap in sodium vanadium bronze Na9V14O35. SOLID STATE COMMUNICATIONS, 115(3), 115–119. https://doi.org/10.1016/S0038-1098(00)00159-9 Whangbo, M. H. (2000). Perspective on "An extended Huckel theory. I. Hydrocarbons" - Hoffmann R (1963) J Chem Phys 39 : 1397-1412. THEORETICAL CHEMISTRY ACCOUNTS, 103(3-4), 252–256. https://doi.org/10.1007/s002149900064 Zhu, Z., Chowdhary, S., Long, V. C., Musfeldt, J. L., Koo, H. J., Whangbo, M. H., … Fisk, Z. (2000). Polarized optical reflectance and electronic structure of the charge-density-wave materials eta- and gamma-Mo4O11. Physical Review. B, Condensed Matter and Materials Physics, 61(15), 10057–10065. https://doi.org/10.1103/physrevb.61.10057 Koo, H. J., & Whangbo, M. H. (2000). Spin dimer analysis of the spin exchange interactions of the vanadium oxides AV(4)O(9) (A = Ca, Sr, Cs-2, NH2(CH2)(4)NH2). JOURNAL OF SOLID STATE CHEMISTRY, 153(2), 263–269. https://doi.org/10.1006/jssc.2000.8753 Jung, D., Koo, H. J., & Whangbo, M. H. (2000). Study of the 18-electron band gap and ferromagnetism in semi- Heusler compounds by nea-spin-polarized electronic band structure calculations. Journal of Molecular Structure [Including Theochem], 527(2000 Aug. 4), 113–119. Jobic, S., Brec, R., Chateau, C., Haines, J., Leger, J. M., Koo, H. J., & Whangbo, M. H. (2000). Synthesis and crystal structure determination of a new pressure-induced iridium ditelluride phase, m-IrTe2, and comparison of the crystal structures and relative stabilities of various IrTe2 polymorphs. INORGANIC CHEMISTRY, 39(19), 4370–4373. https://doi.org/10.1021/ic000351e Koo, H. J., & Whangbo, M. H. (1999). Analysis of bonding and d-electron count in the transition-metal carbides and transition-metal-silicide carbides with discrete linear M-C-M units (M = Cr, Fe, Re) by electronic structure calculations. INORGANIC CHEMISTRY, 38(9), 2204–2210. https://doi.org/10.1021/ic981309a Koo, H. J., Whangbo, M. H., Dong, J., Olejniczak, I., Musfeldt, J. L., Schlueter, J. A., & Geiser, U. (1999). Analysis of polarized optical excitations by electronic band structure calculations: organic superconductor beta ''-(BEDT-TTF)(2)SF5CH2CF2SO3. SOLID STATE COMMUNICATIONS, 112(7), 403–407. https://doi.org/10.1016/S0038-1098(99)00379-8 Koo, H. J., & Whangbo, M. H. (1999). Analysis of the spin-spin interactions in layered oxides alpha '-NaV2O5, CaV2O5 and MgV2O5 and the spin-Peierls distortion in alpha '-NaV2O5 by molecular orbital, Madelung energy and bond valence sum calculations. SOLID STATE COMMUNICATIONS, 111(7), 353–360. https://doi.org/10.1016/S0038-1098(99)00179-9 Lee, K. S., Koo, H. J., Ren, J., & Whangbo, M. H. (1999). Calculations and analysis of the electronic structures of transition-metal phosphosilicides Cu4SiP8, IrSi3P3, CoSi3P3, and FeSi4P4. JOURNAL OF SOLID STATE CHEMISTRY, 147(1), 11–18. https://doi.org/10.1006/jssc.1999.8142 Kelty, S. P., Li, J., Chen, J. G., Chianelli, R. R., Ren, J., & Whangbo, M. H. (1999). Characterization of the RuS2(100) surface by scanning tunneling microscopy, atomic force microscopy, and near-edge X-ray absorption fine structure measurements and electronic band structure calculations. JOURNAL OF PHYSICAL CHEMISTRY B, 103(22), 4649–4655. https://doi.org/10.1021/jp9842594 Bar, G., Brandsch, R., & Whangbo, M. H. (1999). Correlation between frequency-sweep hysteresis and phase imaging instability in tapping mode atomic force microscopy. SURFACE SCIENCE, 436(1-3), L715–L723. https://doi.org/10.1016/S0039-6028(99)00702-5 Schmidt, P. J., Thiele, G., & Whangbo, M. H. (1999). Determination of the Se atom distribution in the layered compound Nb-3(Se1-xIx)I-7 by scanning tunneling microscopy. European Journal of Inorganic Chemistry, (5), 785–787. https://doi.org/10.1002/(sici)1099-0682(199905)1999:5<785::aid-ejic785>3.0.co;2-e Schmidt, P. J., Thiele, G., Cantow, H. J., Ren, J. Q., & Whangbo, M. H. (1999). Distribution of the Se atoms in the layered compound Nb-3(Se1-xIx)I-7 studied by scanning tunneling microscopy and electronic structure calculations. JOURNAL OF PHYSICAL CHEMISTRY B, 103(18), 3626–3633. https://doi.org/10.1021/jp9843813 Bar, G., Brandsch, R., & Whangbo, M. H. (1999, February 22). Effect of tip sharpness on the relative contributions of attractive and repulsive forces in the phase imaging of tapping mode atomic force microscopy. https://doi.org/10.1016/s0039-6028(98)00899-1 Stagarescu, C. B., Duda, L. C., Smith, K. E., Seo, D. K., Whangbo, M. H., Jerome, D., … Nordgren, J. (1999). Electronic structure of the organic conductors kappa-ET2Cu(SCN)(2) and kappa-ET2Cu[N(CN)(2)]Br studied using soft X-ray absorption and soft X-ray emission. JOURNAL OF SOLID STATE CHEMISTRY, 143(1), 1–8. https://doi.org/10.1006/jssc.1998.8046 Whangbo, M. H., Bengel, H., Jobic, S., & Brec, R. (1999). Flexibility of the MPS4- chains of the KMPS4 (M = Ni, Pd) compounds studied by molecular orbital calculations and atomic force microscopy measurements. JOURNAL OF SOLID STATE CHEMISTRY, 147(1), 235–239. https://doi.org/10.1006/jssc.1999.8245 Zhu, Z., Long, V. C., Musfeldt, J. L., Wei, X., Sarrao, J., Fisk, Z., … Whangbo, M. H. (1999, December). High field optical response of eta-Mo4O11. JOURNAL DE PHYSIQUE IV, Vol. 9, pp. 251–253. https://doi.org/10.1051/jp4:19991063 Bar, G., Delineau, L., Brandsch, R., Bruch, M., & Whangbo, M. H. (1999). 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