Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry-Reference-Cited by-同舟云学术

Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry

Published:2015-07-31 Issue:1 Volume:37 Page:83-92
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Petraglia Riccardo¹,Nicolaï Adrien¹,Wodrich Matthew D.¹,Ceriotti Michele²,Corminboeuf Clemence¹

Affiliation:

1. Laboratory for Computational Molecular Design; Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne; CH-1015 Lausanne Switzerland

2. Laboratory of Computational Science and Modelling; Institut des Materiaux, Ecole Polytechnique Fédérale de Lausanne; CH-1015 Lausanne Switzerland

Funder

European Research Council

EPFL

Competence Centre for Materials Science and Technology (CCMX) (to M.C.)

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.24025/fullpdf

Reference135 articles.

1. Interplay between Theory and Experiment: Computational Organometallic and Transition Metal Chemistry

2. Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions

3. Transition States of Amine-Catalyzed Aldol Reactions Involving Enamine Intermediates: Theoretical Studies of Mechanism, Reactivity, and Stereoselectivity

4. Kinetic and Stereochemical Evidence for the Involvement of Only One Proline Molecule in the Transition States of Proline-Catalyzed Intra- and Intermolecular Aldol Reactions

5. Chemical evolution: The mechanism of the formation of adenine under prebiotic conditions

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