Literature DB >> 21133342

Comment on the correct use of continuum solvent models.

Junming Ho1, Andreas Klamt, Michelle L Coote.   

Abstract

Year:  2010        PMID： 21133342     DOI： 10.1021/jp107136j

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN： 1089-5639            Impact factor:   2.781


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  26 in total

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4.  Computational model for predicting experimental RNA and DNA nearest-neighbor free energy rankings.

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5.  Theoretical investigation of pillar[4]quinone as a cathode active material for lithium-ion batteries.

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6.  Total Synthesis of (±)-Phyllantidine: Development and Mechanistic Evaluation of a Ring Expansion for Installation of Embedded Nitrogen-Oxygen Bonds.

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7.  Aqueous solvation of polyalanine α-helices with specific water molecules and with the CPCM and SM5.2 aqueous continuum models using density functional theory.

Authors:  Mateusz Marianski; J J Dannenberg
Journal:  J Phys Chem B       Date:  2012-01-23       Impact factor: 2.991

8.  Ribulose 1,5-bisphosphate carboxylase/oxygenase activates O2 by electron transfer.

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9.  Reactions of a chromium(III)-superoxo complex and nitric oxide that lead to the formation of chromium(IV)-oxo and chromium(III)-nitrito complexes.

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Journal:  J Am Chem Soc       Date:  2013-09-30       Impact factor: 15.419

10.  Mechanistic Insights into the Aerobic Cu(I)-Catalyzed Cross-Coupling of S-Acyl Thiosalicylamide Thiol Esters and Boronic Acids.

Authors:  Adrián Varela-Álvarez; Lanny S Liebeskind; Djamaladdin G Musaev
Journal:  Organometallics       Date:  2012-08-15       Impact factor: 3.876
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