PHI: A powerful new program for the analysis of anisotropic monomeric and exchange‐coupled polynuclear d‐ and f‐block complexes (English)
- New search for: Chilton, Nicholas F.
- New search for: Anderson, Russell P.
- New search for: Turner, Lincoln D.
- New search for: Soncini, Alessandro
- New search for: Murray, Keith S.
- New search for: Chilton, Nicholas F.
- New search for: Anderson, Russell P.
- New search for: Turner, Lincoln D.
- New search for: Soncini, Alessandro
- New search for: Murray, Keith S.
In:
Journal of Computational Chemistry
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34
, 13
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1164-1175
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2013
- Article (Journal) / Electronic Resource
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Title:PHI: A powerful new program for the analysis of anisotropic monomeric and exchange‐coupled polynuclear d‐ and f‐block complexes
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Contributors:Chilton, Nicholas F. ( author ) / Anderson, Russell P. ( author ) / Turner, Lincoln D. ( author ) / Soncini, Alessandro ( author ) / Murray, Keith S. ( author )
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Published in:Journal of Computational Chemistry ; 34, 13 ; 1164-1175
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Publisher:
- New search for: Wiley Subscription Services, Inc., A Wiley Company
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Publication date:2013-05-15
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Size:12 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 34, Issue 13
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.
- 1083
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Monte carlo configuration interaction applied to multipole moments, ionisation energies and electron affinitiesCoe, Jeremy P. / Taylor, Daniel J. / Paterson, Martin J. et al. | 2013
- 1094
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Theoretical study of ionization and one‐electron oxidation potentials of N‐heterocyclic compoundsSviatenko, Liudmyla K. / Gorb, Leonid / Hill, Frances C. / Leszczynski, Jerzy et al. | 2013
- 1101
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First principles study of gallium cleaning for hydrogen‐contaminated α‐Al2O3(0001) surfacesYang, Rui / Rendell, Alistair P. et al. | 2013
- 1112
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A multiscale coarse‐grained polarizable solvent model for handling long tail bulk electrostaticsMasella, Michel / Borgis, Daniel / Cuniasse, Philippe et al. | 2013
- 1125
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Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?Hage, Krystel El / Piquemal, Jean‐Philip / Hobaika, Zeina / Maroun, Richard G. / Gresh, Nohad et al. | 2013
- 1136
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Molecular dynamics study of DNA binding by INT‐DBD under a polarized force fieldYao, Xue X. / Ji, Chang G. / Xie, Dai Q. / Zhang, John Z.H. et al. | 2013
- 1143
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Parameterization of a reactive force field using a monte carlo algorithmIype, E. / Hütter, M. / Jansen, A. P. J. / Nedea, S. V. / Rindt, C. C. M. et al. | 2013
- 1155
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QMX: A versatile environment for hybrid calculations applied to the grafting of Al2Cl3Me3 on a silica surfaceKerber, Torsten / Kerber, Rachel Nathaniel / Rozanska, Xavier / Sautet, Philippe / Fleurat‐Lessard, Paul et al. | 2013
- 1164
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PHI: A powerful new program for the analysis of anisotropic monomeric and exchange‐coupled polynuclear d‐ and f‐block complexesChilton, Nicholas F. / Anderson, Russell P. / Turner, Lincoln D. / Soncini, Alessandro / Murray, Keith S. et al. | 2013
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Cover Image, Volume 34, Issue 13| 2013
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Inside Cover, Volume 34, Issue 13| 2013