A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulations-Reference-Cited by-同舟云学术

A combined on-the-fly/interpolation procedure for evaluating energy values needed in molecular simulations

Published:2019-11-07 Issue:17 Volume:151 Page:174116
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Karandashev Konstantin¹,Vaníček Jiří¹^ORCID

Affiliation:

1. Laboratory of Theoretical Physical Chemistry, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

Funder

H2020 European Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5124469

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3. Enol Tautomers of Watson−Crick Base Pair Models Are Metastable Because of Nuclear Quantum Effects

4. Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water

5. Acid Dissociation in HCl-Water Clusters is Temperature Dependent and Cannot be Detected Based on Dipole Moments

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