TY - JOUR TI - Theoretical Studies of Chemisorption on Transition Metal Surfaces AU - Whitten, J.L. AU - Doll, J.D. T2 - Energy Research Abstracts DA - 1980/// PY - 1980/// VL - 5 SP - 1424 ER - TY - CONF TI - Chemisorption Theory for Metallic Surfaces AU - Whitten, J.L. T2 - Symposium on New Quantum Methods in Inorganic Chemistry and Catalysis, American Chemical Society (ACS) 179th Meeting C2 - 1980/3/26/ CY - Houston, Texas DA - 1980/3/26/ PY - 1980/3/26/ ER - TY - CONF TI - Hydrogen Adsorption on Copper: Embedding Theory based on Orbital Localization AU - Whitten, J.L. T2 - CECAM Workshop Symposium C2 - 1980/8// DA - 1980/8// PY - 1980/8// ER - TY - JOUR TI - Intermediate molecular species in the oxidation of hydrogen sulfide. An ab initio configuration interaction study AU - Besnainou, S. AU - Whitten, J. L. T2 - Journal of the American Chemical Society AB - ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTIntermediate molecular species in the oxidation of hydrogen sulfide. An ab initio configuration interaction studyS. Besnainou and J. L. WhittenCite this: J. Am. Chem. Soc. 1980, 102, 25, 7444–7448Publication Date (Print):December 1, 1980Publication History Published online1 May 2002Published inissue 1 December 1980https://doi.org/10.1021/ja00545a008Request reuse permissionsArticle Views87Altmetric-Citations11LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (684 KB) Get e-Alertsclose Get e-Alerts DA - 1980/12// PY - 1980/12// DO - 10.1021/ja00545a008 VL - 102 IS - 25 SP - 7444-7448 J2 - J. Am. Chem. Soc. LA - en OP - SN - 0002-7863 1520-5126 UR - http://dx.doi.org/10.1021/ja00545a008 DB - Crossref ER - TY - JOUR TI - Chemisorption theory for metallic surfaces: Electron localization and the description of surface interactions AU - Whitten, J. L. AU - Pakkanen, Tapani A. T2 - Physical Review B AB - A theory for describing molecule-solid surface interactions using correlated configuration-interaction (CI) wave functions for the surface region is described. Starting with a delocalized self-consistent-field wave function for the lattice, approximated as a cluster of atoms, a local surface region is defined by a unitary, localization transformation of the single-particle orbitals of the lattice wave function based on electron exchange maximization with the surface sites of interest. CI calculations on the resulting $N$-electron subspace plus adsorbate permit an accurate description of bonding at the surface. Ab initio computational techniques for treating the many-electron problem and large clusters of metal atoms are described. DA - 1980/5/15/ PY - 1980/5/15/ DO - 10.1103/physrevb.21.4357 VL - 21 IS - 10 SP - 4357-4367 J2 - Phys. Rev. B LA - en OP - SN - 0163-1829 UR - http://dx.doi.org/10.1103/physrevb.21.4357 DB - Crossref ER - TY - JOUR TI - Variation of the spin wave spectrum in interaction between magnons AU - Prosorova, L.A. AU - Smirnov, A.I. T2 - Journal of Magnetism and Magnetic Materials AB - The change in the spin wave spectrum was observed under parametric excitation of 1016 magnons cm−3 in a specimen of antiferromagnetic CsMnF3 at a temperature of T = 1.6 K. The relative change in the characteristic frequency of magnons is 10−5 and is negative. The frequency of investigated magnons was 10.5 and 17.8 GHz. DA - 1980/// PY - 1980/// DO - 10.1016/0304-8853(80)91099-9 VL - 15-18 IS - PART 1 SP - 385-386 UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-49149143575&partnerID=MN8TOARS ER - TY - JOUR TI - Heterogeneous electron transfer kinetics of sperm whale myoglobin AU - Bowden, Edmond F. AU - Hawkridge, Fred M. AU - Blount, H.N. T2 - Journal of Electroanalytical Chemistry and Interfacial Electrochemistry AB - Very little information has been reported describing the heterogeneous electron transfer kinetics of biological molecules at electrodes. We report here the first application of a recently developed spectro-electrochemical technique to the measurement of the heterogeneous electron transfer kinetics of a biological molecule, sperm whale myoglobin, at a methyl viologen modified gold minigrid electrode. The overpotential dependence of the heterogeneous electron transfer rate constant for the reduction of myoglobin at this surface gives rise to values of the formal heterogeneous electron transfer rate constant [ko′f,h=3.88 (±0.07)×10−11 cm/s] and the transfer coefficient [α=0.88 (±0.01)] for this electrocatalyzed process. The importance of studying the heterogeneous electron transfer kinetics of biological molecules lies in the fact that many physiological electron transfer reactions occur heterogeneously. Though myoglobin does not function in this manner physiologically, our initial study has been directed at this molecule owing to its stability and ready availability. It is expected that this technique will be applied to other optically transparent electrodes and other biological molecules thereby providing new insights into understanding biological redox reactions. DA - 1980/1// PY - 1980/1// DO - 10.1016/s0022-0728(80)80269-5 VL - 116 SP - 447-457 J2 - Journal of Electroanalytical Chemistry and Interfacial Electrochemistry LA - en OP - SN - 0022-0728 UR - http://dx.doi.org/10.1016/s0022-0728(80)80269-5 DB - Crossref ER - TY - JOUR TI - 2-TRIDECANONE - NATURALLY-OCCURRING INSECTICIDE FROM THE WILD TOMATO LYCOPERSICON-HIRSUTUM F-GLABRATUM AU - WILLIAMS, WG AU - KENNEDY, GG AU - YAMAMOTO, RT AU - THACKER, JD AU - BORDNER, J T2 - SCIENCE AB - A nonalkaloid insecticide was isolated from the wild tomato Lycopersicon hirsutum f. glabratum and identified as 2-tridecanone, a compound 72 times more abundant in the wild tomato than in the cultivated tomato L. esculentum. Lepidopterous larvae (Manduca sexta and Heliothis zea) and aphids (Aphis gossypii) died when confined on 2-tridecanone-treated filter paper. DA - 1980/// PY - 1980/// DO - 10.1126/science.207.4433.888 VL - 207 IS - 4433 SP - 888-889 SN - 1095-9203 ER -