Solvation Free Energies in Subsystem Density Functional Theory-Reference-Cited by-同舟云学术

Solvation Free Energies in Subsystem Density Functional Theory

Published:2022-01-05 Issue:2 Volume:18 Page:723-740
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bensberg Moritz¹^ORCID,Türtscher Paul L.²,Unsleber Jan P.²^ORCID,Reiher Markus²^ORCID,Neugebauer Johannes¹^ORCID

Affiliation:

1. Theoretische Organische Chemie, Organisch-Chemisches Institut and Center for Multiscale Theory and Computation, Westfälische Wilhelms-Universität Münster, Corrensstraße 36, 48149 Münster, Germany

2. ETH Zürich, Laboratorium für Physikalische Chemie, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland

Funder

Eidgen??ssische Technische Hochschule Z??rich

Schweizerischer Nationalfonds zur F??rderung der Wissenschaftlichen Forschung

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00864

Reference111 articles.

1. Theory of complicated liquidsInvestigation of liquids, solvents and solvent effects with modern theoretical methods

2. Solvents and Solvent Effects in Organic Chemistry

3. Comparison of simple potential functions for simulating liquid water

4. Quantum and molecular mechanical Monte Carlo techniques for modeling condensed‐phase reactions

5. Quantum Mechanical Continuum Solvation Models

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