Dadi Dai

Dai, D., Xiang, H., & Whangbo, M.-H. (2008). Effects of spin-orbit coupling on magnetic properties of discrete and extended magnetic systems. JOURNAL OF COMPUTATIONAL CHEMISTRY, 29(13), 2187–2209. https://doi.org/10.1002/jcc.21011

Chan, G. H., Lee, C., Dai, D., Whangbo, M.-H., & Ibers, J. A. (2008). On the anisotropy of the magnetic properties of CsYbZnSe3. INORGANIC CHEMISTRY, 47(5), 1687–1692. https://doi.org/10.1021/ic701961f

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

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

Lu, H. G., Dai, D., Yang, P., & Li, L. M. (2006). Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 8(3), 340–346. https://doi.org/10.1039/b511516g

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+

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

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

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

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

Huang, B. B., Dai, Y., Long, R., Yan, C. X., & Dai, D. (2005). Fermi-energy and minimum diameter for metallic silver cluster. International Journal of Modern Physics. B, Condensed Matter Physics, Statistical Physics, Applied Physics, 19(15-17), 2404–2408.

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

Dai, Y., Dai, D., Yan, C. X., Huang, B. B., & Han, S. H. (2005). N-type electric conductivity of nitrogen-doped ultrananocrystalline diamond films. Physical Review. B, Condensed Matter and Materials Physics, 71(7).

Dai, Y., Dai, D., Huang, B., & Yan, C. (2005). Size-dependent metal-nonmetal change of groups IB and IIB metal clusters. European Physical Journal. D, Atomic, Molecular and Optical Physics, 34(03-Jan), 105–107.

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

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

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

Dai, Y., Dai, D., Liu, D. H., Han, S. H., & Huang, B. B. (2004). Mechanism of p-type-to-n-type conductivity conversion in boron-doped diamond. APPLIED PHYSICS LETTERS, 84(11), 1895–1897. https://doi.org/10.1063/1.1650909

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.

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

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

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

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

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

Dai, Y., Han, S. G., Huang, B. B., & Dai, D. D. (2003). Study on n-type doping with phosphorous in diamond by means of density functional theory. Materials Science & Engineering. B, Solid-State Materials for Advanced Technology, 99(03-Jan), 531–535.

Dai, Y., Han, S. H., Dai, D. D., Zhang, Y., & Qi, Y. (2003). Surface passivant effects on electronic states of the band edge in Si-nanocrystals. SOLID STATE COMMUNICATIONS, 126(3), 103–106. https://doi.org/10.1016/S0038-1098(03)00086-3

Dai, Y., Huang, B. B., & Dai, D. D. (2003). The role of dangling-bond, hydrogen and adsorbate in diamond surface conduction. DIAMOND AND RELATED MATERIALS, 12(1), 15–19. https://doi.org/10.1016/S0925-9635(02)00244-3

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

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

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

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

Dai, Y., Dai, D. D., & Ding, S. L. (2001). Study on multiphoton processes in intense laser fields using the quadratic anharmonic Lie algebraic hamiltonian of diatomic molecule. CHEMICAL PHYSICS, 271(1-2), 71–78. https://doi.org/10.1016/S0301-0104(01)00444-X