Density Functional Theory-Based Molecular Dynamics Simulation of Acid-Catalyzed Chemical Reactions in Liquid Trioxane-Reference-Cited by-同舟云学术

Density Functional Theory-Based Molecular Dynamics Simulation of Acid-Catalyzed Chemical Reactions in Liquid Trioxane

Published:1997-08-01 Issue:31 Volume:119 Page:7218-7229
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Curioni Alessandro¹,Sprik Michiel¹,Andreoni Wanda¹,Schiffer Heinz¹,Hutter Jürg¹,Parrinello Michele¹

Affiliation:

1. Contribution from the IBM Research Division, Zurich Research Laboratory, 8803 Rüschlikon, Switzerland, Scuola Normale Superiore, 56126 Pisa, Italy, Hoechst AG Scientific Computing, 65926 Frankfurt am Main, Germany, and Max-Planck-Institut für Festkörperforschung, 70569 Stuttgart, Germany

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja970935o

Reference32 articles.

1. Ionic Polymerization and Living Polymers

2. Unified Approach for Molecular Dynamics and Density-Functional Theory

3. Penczek, S.; Kubisa, P.Comprehensive Polymer Science; Pergamon: Oxford, 1989; Vol. III, p 787.

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