Advances in molecular quantum chemistry contained in the Q-Chem 4 program package (English)
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- New search for: Lange, Adrian W.
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- New search for: Kim, Jihan
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In:
Molecular Physics
;
113
, 2
;
184-215
;
2015
- Article (Journal) / Electronic Resource
-
Title:Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
-
Contributors:Shao, Yihan ( author ) / Gan, Zhengting ( author ) / Epifanovsky, Evgeny ( author ) / Gilbert, Andrew T.B. ( author ) / Wormit, Michael ( author ) / Kussmann, Joerg ( author ) / Lange, Adrian W. ( author ) / Behn, Andrew ( author ) / Deng, Jia ( author ) / Feng, Xintian ( author )
-
Published in:Molecular Physics ; 113, 2 ; 184-215
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Publisher:
- New search for: Taylor & Francis
-
Publication date:2015-01-17
-
Size:32 pages
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ISSN:
-
DOI:
-
Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 113, Issue 2
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 113
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Inhomogeneous contribution to the width of zero-field MARY lineVerkhovlyuk, V.N. / Anishchik, S.V. / Molin, Y.N. / Anisimov, O.A. et al. | 2015
- 120
-
Accurate theoretical spectroscopic investigations of the ?-S and 58 ? states of O2+ cation including the spin-orbit coupling effectLiu, H. / Shi, D. / Sun, J. / Zhu, Z. et al. | 2015
- 120
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Accurate theoretical spectroscopic investigations of the 20 Λ-S and 58 Ω states of O2+ cation including the spin–orbit coupling effectLiu, Hui / Shi, Deheng / Sun, Jinfeng / Zhu, Zunlue et al. | 2015
- 120
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Accurate theoretical spectroscopic investigations of the 20 [Lambda]-S and 58 [Omega] states of O2+ cation including the spin-orbit coupling effectHui Liu et al. | 2015
- 137
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Theoretical investigation of anion (FIndra Neela, Y et al. | 2015
- 137
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Theoretical investigation of anion (F−, Cl−) and cation (Na+) interactions with substituted benzene [C6H6 − nYn (Y = –F, –CN, –NO2; n = 1–6)]Indra Neela, Y. / Narahari Sastry, G. et al. | 2015
- 149
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Structural and spectroscopic investigation of the N-methylformamide–water (NMF···3H2O) complexHammami, F. / Ghalla, H. / Chebaane, A. / Nasr, S. et al. | 2015
- 160
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Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H2 reactionMielke, Steven L. / Garrett, Bruce C. / Fleming, Donald G. / Truhlar, Donald G. et al. | 2015
- 176
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An improved kinetic theory approach for calculating the thermal conductivity of polyatomic gasesHellmann, Robert / Bich, Eckard et al. | 2015
- 184
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Advances in molecular quantum chemistry contained in the Q-Chem 4 program packageShao, Yihan / Gan, Zhengting / Epifanovsky, Evgeny / Gilbert, Andrew T.B. / Wormit, Michael / Kussmann, Joerg / Lange, Adrian W. / Behn, Andrew / Deng, Jia / Feng, Xintian et al. | 2015
- 216
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Computational prediction of a new class of tri-coordinate cyclic heavier carbene analogues RM(μ-R)2AlR2 (M = Ge, Sn, Pb)Xu, Jing / Ding, Yi-hong et al. | 2015
- 223
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Erratum| 2015
- 224
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Corrigendum| 2015