A polarizable, charge transfer model of water using the drude oscillator (English)
- New search for: Rick, Steven W.
- New search for: Rick, Steven W.
In:
Journal of Computational Chemistry
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37
, 22
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2060-2066
;
2016
- Article (Journal) / Electronic Resource
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Title:A polarizable, charge transfer model of water using the drude oscillator
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Contributors:Rick, Steven W. ( author )
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Published in:Journal of Computational Chemistry ; 37, 22 ; 2060-2066
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Publisher:
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Publication date:2016-08-15
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Size:7 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 22
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.
- 2039
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Issue Information| 2016
- 2045
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Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubilityKlimenko, Kyrylo / Kuz'min, Victor / Ognichenko, Liudmila / Gorb, Leonid / Shukla, Manoj / Vinas, Natalia / Perkins, Edward / Polishchuk, Pavel / Artemenko, Anatoly / Leszczynski, Jerzy et al. | 2016
- 2052
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Efficient determination of accurate atomic polarizabilities for polarizeable embedding calculationsSchröder, Heiner / Schwabe, Tobias et al. | 2016
- 2060
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A polarizable, charge transfer model of water using the drude oscillatorRick, Steven W. et al. | 2016
- 2067
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Torque and atomic forces for Cartesian tensor atomic multipoles with an application to crystal unit cell optimizationElking, Dennis M. et al. | 2016
- 2081
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Accurate Kohn–Sham ionization potentials from scaled‐opposite‐spin second‐order optimized effective potential methodsŚmiga, Szymon / Della Sala, Fabio / Buksztel, Adam / Grabowski, Ireneusz / Fabiano, Eduardo et al. | 2016
- 2091
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Using the gini coefficient to measure the chemical diversity of small‐molecule librariesWeidlich, Iwona E. / Filippov, Igor V. et al. | 2016
- 2098
-
CarbBuilder: Software for building molecular models of complex oligo‐ and polysaccharide structuresKuttel, Michelle M. / Ståhle, Jonas / Widmalm, Göran et al. | 2016
- 2106
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molSimplify: A toolkit for automating discovery in inorganic chemistryIoannidis, Efthymios I. / Gani, Terry Z. H. / Kulik, Heather J. et al. | 2016
- i
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Cover Image, Volume 37, Issue 22| 2016