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There are 17558 results for: content related to: Reply to the comment on “CCSD study of anharmonic Raman cross sections of fundamental, overtone, and combination transitions”

  1. You have full text access to this OnlineOpen article
    Generalized vibrational perturbation theory for rotovibrational energies of linear, symmetric and asymmetric tops: Theory, approximations, and automated approaches to deal with medium-to-large molecular systems

    International Journal of Quantum Chemistry

    Volume 115, Issue 15, August 5, 2015, Pages: 948–982, Matteo Piccardo, Julien Bloino and Vincenzo Barone

    Version of Record online : 10 JUN 2015, DOI: 10.1002/qua.24931

  2. Free energetics of rigid body association of ubiquitin binding domains: A biochemical model for binding mediated by hydrophobic interaction

    Proteins: Structure, Function, and Bioinformatics

    Volume 82, Issue 7, July 2014, Pages: 1453–1468, Di Cui, Shuching Ou and Sandeep Patel

    Version of Record online : 24 MAR 2014, DOI: 10.1002/prot.24513

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    Calculation of response properties with the normalized elimination of the small component method

    International Journal of Quantum Chemistry

    Volume 114, Issue 15, 5 August 2014, Pages: 993–1005, Michael Filatov, Wenli Zou and Dieter Cremer

    Version of Record online : 14 NOV 2013, DOI: 10.1002/qua.24578

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    CRYSTAL14: A program for the ab initio investigation of crystalline solids

    International Journal of Quantum Chemistry

    Volume 114, Issue 19, October 5, 2014, Pages: 1287–1317, Roberto Dovesi, Roberto Orlando, Alessandro Erba, Claudio M. Zicovich-Wilson, Bartolomeo Civalleri, Silvia Casassa, Lorenzo Maschio, Matteo Ferrabone, Marco De La Pierre, Philippe D'Arco, Yves Noël, Mauro Causà, Michel Rérat and Bernard Kirtman

    Version of Record online : 11 MAR 2014, DOI: 10.1002/qua.24658

  5. Electronic quantum trajectories in a quantum dot

    International Journal of Quantum Chemistry

    Volume 114, Issue 14, 15 July 2014, Pages: 920–930, Ciann-Dong Yang and Shih-Ming Huang

    Version of Record online : 22 APR 2014, DOI: 10.1002/qua.24692

  6. Spherical confinement of coulombic systems inside an impenetrable box: H atom and the Hulthén potential

    International Journal of Quantum Chemistry

    Volume 115, Issue 15, August 5, 2015, Pages: 937–947, Amlan K. Roy

    Version of Record online : 10 MAY 2015, DOI: 10.1002/qua.24929

  7. Massively parallel MP2-F12 calculations on the K computer

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 333–341, Yu-ya Ohnishi, Kazuya Ishimura and Seiichiro Ten-no

    Version of Record online : 17 NOV 2014, DOI: 10.1002/qua.24819

  8. Comment on “Density and physical current density functional theory”

    International Journal of Quantum Chemistry

    Volume 114, Issue 3, 5 February 2014, Pages: 233–236, Xiao-Yin Pan and Viraht Sahni

    Version of Record online : 26 AUG 2013, DOI: 10.1002/qua.24532

  9. Nuclear cusp conditions and their fulfillment in molecular calculations with SLATER basis sets

    International Journal of Quantum Chemistry

    Volume 114, Issue 20, October 15, 2014, Pages: 1393–1400, Jaime Fernández Rico, Rafael López, Ignacio Ema and Guillermo Ramírez

    Version of Record online : 3 MAR 2014, DOI: 10.1002/qua.24657

  10. Comment on “CCSD study of anharmonic Raman cross sections of fundamental, overtone, and combination transitions”

    International Journal of Quantum Chemistry

    Volume 113, Issue 24, 15 December 2013, Pages: 2634–2636, Michael Chrysos and David Kremer

    Version of Record online : 15 JUL 2013, DOI: 10.1002/qua.24514

  11. Electronic properties and 1/3 magnetization plateau of the S=1/2 magnetism Cu3(P2O6OH)2

    International Journal of Quantum Chemistry

    Volume 115, Issue 6, March 15, 2015, Pages: 406–412, Long-Juan Kong, Guang-Hua Liu, Yu Zhang and Ling Qiang

    Version of Record online : 24 DEC 2014, DOI: 10.1002/qua.24861

  12. Convergence of the bipolar expansion for the coulomb potential

    International Journal of Quantum Chemistry

    Volume 114, Issue 16, August 15, 2014, Pages: 1073–1078, Harris J. Silverstone

    Version of Record online : 19 FEB 2014, DOI: 10.1002/qua.24630

  13. NTChem: A high-performance software package for quantum molecular simulation

    International Journal of Quantum Chemistry

    Volume 115, Issue 5, March 5, 2015, Pages: 349–359, Takahito Nakajima, Michio Katouda, Muneaki Kamiya and Yutaka Nakatsuka

    Version of Record online : 29 DEC 2014, DOI: 10.1002/qua.24860

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    Generalized time-dependent approaches to vibrationally resolved electronic and Raman spectra: Theory and applications

    International Journal of Quantum Chemistry

    Volume 115, Issue 9, May 5, 2015, Pages: 550–563, Wanzhen Liang, Huili Ma, Hang Zang and Chuanxiang Ye

    Version of Record online : 27 NOV 2014, DOI: 10.1002/qua.24824

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    Phase/current information descriptors and equilibrium states in molecules

    International Journal of Quantum Chemistry

    Volume 115, Issue 19, October 5, 2015, Pages: 1274–1288, Roman F. Nalewajski

    Version of Record online : 10 SEP 2014, DOI: 10.1002/qua.24750

  16. Electronic transition dipole moment: A semi-biorthogonal approach within valence universal coupled cluster framework

    International Journal of Quantum Chemistry

    Volume 114, Issue 18, September 15, 2014, Pages: 1212–1219, Debarati Bhattacharya, Nayana Vaval and Sourav Pal

    Version of Record online : 22 APR 2014, DOI: 10.1002/qua.24691

  17. Guest–host interaction in an aza crown analog

    International Journal of Quantum Chemistry

    Volume 114, Issue 11, 5 June 2014, Pages: 708–719, Ranjita Das and Pratim Kumar Chattaraj

    Version of Record online : 26 FEB 2014, DOI: 10.1002/qua.24648

  18. Toward linear scaling: Locality of potential energy surface coupling in valence coordinates

    International Journal of Quantum Chemistry

    Volume 114, Issue 20, October 15, 2014, Pages: 1401–1411, Falk Richter, Philippe Carbonniere and Claude Pouchan

    Version of Record online : 28 APR 2014, DOI: 10.1002/qua.24694

  19. The poset of hypergraph quasirandomness

    Random Structures & Algorithms

    Volume 46, Issue 4, July 2015, Pages: 762–800, John Lenz and Dhruv Mubayi

    Version of Record online : 25 NOV 2013, DOI: 10.1002/rsa.20521

  20. Sandwiching a densest subgraph by consecutive cores

    Random Structures & Algorithms

    Volume 47, Issue 2, September 2015, Pages: 341–360, Pu Gao

    Version of Record online : 10 APR 2014, DOI: 10.1002/rsa.20543