Correlation energy, correlated electron density, and exchange‐correlation potential in some spherically confined atoms (English)
- New search for: Vyboishchikov, Sergei F.
- New search for: Vyboishchikov, Sergei F.
In:
Journal of Computational Chemistry
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37
, 31
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2677-2686
;
2016
- Article (Journal) / Electronic Resource
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Title:Correlation energy, correlated electron density, and exchange‐correlation potential in some spherically confined atoms
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Contributors:Vyboishchikov, Sergei F. ( author )
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Published in:Journal of Computational Chemistry ; 37, 31 ; 2677-2686
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Publisher:
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Publication date:2016-12-05
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Size:10 pages
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ISSN:
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DOI:
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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 37, Issue 31
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.
- 2671
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Issue Information| 2016
- 2677
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Correlation energy, correlated electron density, and exchange‐correlation potential in some spherically confined atomsVyboishchikov, Sergei F. et al. | 2016
- 2687
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Variation of free‐energy landscape of the p53 C‐terminal domain induced by acetylation: Enhanced conformational samplingIida, Shinji / Mashimo, Tadaaki / Kurosawa, Takashi / Hojo, Hironobu / Muta, Hiroya / Goto, Yuji / Fukunishi, Yoshifumi / Nakamura, Haruki / Higo, Junichi et al. | 2016
- 2701
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Rapid QM/MM approach for biomolecular systems under periodic boundary conditions: Combination of the density‐functional tight‐binding theory and particle mesh Ewald methodNishizawa, Hiroaki / Okumura, Hisashi et al. | 2016
- 2712
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QTAIM and stress tensor interpretation of the (H2O)5 potential energy surfaceXu, Tianlv / Farrell, James / Xu, Yuning / Momen, Roya / Kirk, Steven R. / Jenkins, Samantha / Wales, David J. et al. | 2016
- 2712
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QTAIM and stress tensor interpretation of the (H^sub 2^O)^sub 5^ potential energy surfaceTianlv Xu et al. | 2016
- 2722
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Distinguishing and quantifying the torquoselectivity in competitive ring‐opening reactions using the stress tensor and QTAIMGuo, Huan / Morales‐Bayuelo, Alejandro / Xu, Tianlv / Momen, Roya / Wang, Lingling / Yang, Ping / Kirk, Steven R. / Jenkins, Samantha et al. | 2016
- 2734
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Fast and accurate determination of the relative binding affinities of small compounds to HIV‐1 protease using non‐equilibrium workNgo, Son Tung / Hung, Huynh Minh / Nguyen, Minh Tho et al. | 2016
- i
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Cover Image, Volume 37, Issue 31| 2016