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There are 13508 results for: content related to: Theoretical study of electronic structure of rhodium mononitride and interpretation of experimental spectra

  1. Potential energy curves and interpretation of electronic spectrum of the yttrium nitride

    International Journal of Quantum Chemistry

    Volume 111, Issue 13, 5 November 2011, Pages: 3378–3384, Xiaotong Dou, Huixian Han, Gaohong Zhai and Bingbing Suo

    Version of Record online : 1 FEB 2011, DOI: 10.1002/qua.23002

  2. Electronic structure of NH+: An ab initio study

    International Journal of Quantum Chemistry

    Volume 101, Issue 4, 2005, Pages: 396–410, José M. Amero and Gabriel J. Vázquez

    Version of Record online : 6 DEC 2004, DOI: 10.1002/qua.20377

  3. All-Electron Ab Initio Investigation of the Electronic States of the PdC Molecule

    ChemPhysChem

    Volume 2, Issue 2, February 16, 2001, Pages: 125–130, Irene Shim and Karl A. Gingerich

    Version of Record online : 9 FEB 2001, DOI: 10.1002/1439-7641(20010216)2:2<125::AID-CPHC125>3.0.CO;2-4

  4. Probing the electronic structure, chemical bonding, and excitation spectra of [CuE]+/0/− (E = 14 group element) diatomics employing DFT and ab initio methods

    Journal of Computational Chemistry

    Volume 33, Issue 29, 5 November 2012, Pages: 2318–2331, Athanassios C. Tsipis and Dimitrios N. Gkarmpounis

    Version of Record online : 24 JUL 2012, DOI: 10.1002/jcc.23065

  5. MRCI study of the photoelectron spectrum of GeC and GeSi and their GeC+ and GeSi+ ions

    International Journal of Quantum Chemistry

    Volume 106, Issue 13, 2006, Pages: 2677–2688, Leonardo T. Ueno, L. R. Marim, A. Dal Pino Jr. and Francisco B. C. Machado

    Version of Record online : 23 JUN 2006, DOI: 10.1002/qua.21069

  6. Metal-rich damped/subdamped Lyman α quasar absorbers at z < 1

    Monthly Notices of the Royal Astronomical Society

    Volume 372, Issue 1, October 2006, Pages: 369–380, C. Péroux, J. D. Meiring, V. P. Kulkarni, R. Ferlet, P. Khare, J. T. Lauroesch, G. Vladilo and D. G. York

    Version of Record online : 7 SEP 2006, DOI: 10.1111/j.1365-2966.2006.10865.x

  7. Electronic structures and chemical bonding in 4d transition metal monohalides

    Journal of Computational Chemistry

    Volume 28, Issue 13, October 2007, Pages: 2190–2202, L. Cheng, M. Y. Wang, Z. J. Wu and Z. M. Su

    Version of Record online : 20 APR 2007, DOI: 10.1002/jcc.20734

  8. A Combined Ab Initio/Franck–Condon Study of the ÖX̃ Single-Vibronic-Level Emission Spectrum of CCl2 and the Photodetachment Spectrum of CCl2

    ChemPhysChem

    Volume 6, Issue 10, October 14, 2005, Pages: 2046–2059, John M. Dyke, Edmond P. F. Lee, Daniel K. W. Mok and Foo-tim Chau

    Version of Record online : 6 OCT 2005, DOI: 10.1002/cphc.200500194

  9. Electronic, bonding, and optical properties of 1d [CuCN]n (n = 1–10) chains, 2d [CuCN]n (n = 2–10) nanorings, and 3d [Cun(CN)n]m (n = 4, m = 2, 3; n = 10, m = 2) tubes studied by DFT/TD-DFT methods

    Journal of Computational Chemistry

    Volume 36, Issue 17, June 30, 2015, Pages: 1334–1347, Athanassios C. Tsipis and Alexandros V. Stalikas

    Version of Record online : 23 APR 2015, DOI: 10.1002/jcc.23932

  10. Density functional and multiconfigurational ab initio study of the ground and excited states of Os2

    International Journal of Quantum Chemistry

    Volume 114, Issue 21, November 5, 2014, Pages: 1466–1471, Joonghan Kim and Jeongho Kim

    Version of Record online : 28 MAY 2014, DOI: 10.1002/qua.24715

  11. Financial Reporting and Supplemental Voluntary Disclosures

    Journal of Accounting Research

    Volume 45, Issue 5, December 2007, Pages: 885–913, MARK BAGNOLI and SUSAN G. WATTS

    Version of Record online : 28 SEP 2007, DOI: 10.1111/j.1475-679X.2007.00258.x

  12. Theoretical studies on structures and electronic spectra of linear carbon chains C2nH+ (n = 1−5)

    International Journal of Quantum Chemistry

    Volume 109, Issue 5, 2009, Pages: 1116–1126, Jinglai Zhang, Yonghong Li, Junfeng Li, Xing Chen and Zexing Cao

    Version of Record online : 25 NOV 2008, DOI: 10.1002/qua.21926

  13. Electronic structures and chemical bonding in diatomic ScX to ZnX (X = S, Se, Te)

    Journal of Computational Chemistry

    Volume 28, Issue 3, February 2007, Pages: 703–714, Z. J. Wu, M. Y. Wang and Z. M. Su

    Version of Record online : 28 DEC 2006, DOI: 10.1002/jcc.20603

  14. Advanced Plasticity Models

    Computational Methods for Plasticity: Theory and Applications

    E. A. de Souza Neto, D. Perić, D. R. J. Owen, Pages: 403–433, 2008

    Published Online : 4 DEC 2008, DOI: 10.1002/9780470694626.ch10

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    Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 283–299, Takeshi Yanai, Yuki Kurashige, Wataru Mizukami, Jakub Chalupský, Tran Nguyen Lan and Masaaki Saitow

    Version of Record online : 22 OCT 2014, DOI: 10.1002/qua.24808

  16. Ab initio spectroscopic study for the NaRb molecule in ground and excited states

    International Journal of Quantum Chemistry

    Volume 114, Issue 11, 5 June 2014, Pages: 731–747, Maha Chaieb, Héla Habli, Leila Mejrissi, Brahim Oujia and Florent Xavier Gadéa

    Version of Record online : 13 MAR 2014, DOI: 10.1002/qua.24664

  17. You have free access to this content
    Can coupled-cluster methods be used to describe excited states of the building blocks of DNA?

    International Journal of Quantum Chemistry

    Volume 113, Issue 14, 15 July 2013, Pages: 1821–1827, Péter G. Szalay

    Version of Record online : 25 JAN 2013, DOI: 10.1002/qua.24392

  18. Three-Dimensional Equations of Elasticity

    Elasticity in Engineering Mechanics, Third Edition

    Arthur P. Boresi, Ken P. Chong, James D. Lee, Pages: 226–364, 2010

    Published Online : 16 NOV 2010, DOI: 10.1002/9780470950005.ch4

  19. Theoretical prediction on HAlS+ and HSAl+ cations using multiconfiguration second-order perturbation theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 12, 15 June 2012, Pages: 2499–2503, Wen-Zuo Li, Yu-Wei Pei, F.-F. Geng, Jian-Bo Cheng, Qing-Zhong Li and Bao-An Gong

    Version of Record online : 27 OCT 2011, DOI: 10.1002/qua.23242

  20. Theory of Stress

    Elasticity in Engineering Mechanics, Third Edition

    Arthur P. Boresi, Ken P. Chong, James D. Lee, Pages: 161–225, 2010

    Published Online : 16 NOV 2010, DOI: 10.1002/9780470950005.ch3