Constrained Nuclear-Electronic Orbital Density Functional Theory with a Dielectric Continuum Solvent Model-Reference-Cited by-同舟云学术

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Constrained Nuclear-Electronic Orbital Density Functional Theory with a Dielectric Continuum Solvent Model

Published:2023-07-20 Issue:30 Volume:127 Page:6329-6334
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Xu Xi¹^ORCID

Affiliation:

1. Center for Advanced Materials Research, Beijing Normal University, Zhuhai 519087, China

Funder

Natural Science Foundation of Beijing Municipality

Beijing Normal University

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c02507

Reference52 articles.

1. Quantum Mechanical Continuum Solvation Models

2. Dielectric continuum methods for quantum chemistry

3. Polarizable continuum model

4. The COSMO and COSMO‐RS solvation models

5. Atomic-scale investigation of nuclear quantum effects of surface water: Experiments and theory

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Vibrational Spectra of Highly Anharmonic Water Clusters: Molecular Dynamics and Harmonic Analysis Revisited with Constrained Nuclear-Electronic Orbital Methods;Journal of Chemical Theory and Computation;2023-12-14

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