Accurate DFT Descriptions for Weak Interactions of Molecules Containing Sulfur-Reference-Cited by-同舟云学术

Accurate DFT Descriptions for Weak Interactions of Molecules Containing Sulfur

Published:2008-12-22 Issue:1 Volume:5 Page:23-28
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Aeberhard Philippe C.¹,Arey J. Samuel¹,Lin I-Chun¹,Rothlisberger Ursula¹

Affiliation:

1. Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, U.K., Environmental Chemistry Modeling Laboratory and Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland, and Department of Chemical System Engineering, School of Engineering, University of Tokyo, Tokyo 113-8656, Japan

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800299y

Reference35 articles.

1. Optimization of Effective Atom Centered Potentials for London Dispersion Forces in Density Functional Theory

2. Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr

3. Performance of optimized atom-centered potentials for weakly bonded systems using density functional theory

4. Weakly Bonded Complexes of Aliphatic and Aromatic Carbon Compounds Described with Dispersion Corrected Density Functional Theory

5. Predicting Noncovalent Interactions between Aromatic Biomolecules with London-Dispersion-Corrected DFT

Cited by 38 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. IGMH‐based research on the intramolecular weak interaction of TKX‐50;Propellants, Explosives, Pyrotechnics;2024-03

2. Search for a Grotthuss mechanism through the observation of proton transfer;Communications Chemistry;2023-04-22

3. Impacts of noncovalent interactions involving sulfur atoms on protein stability, structure, folding, and bioactivity;Organic & Biomolecular Chemistry;2023

4. Controlling Hydronium Diffusivity in Model Proton Exchange Membranes;The Journal of Physical Chemistry Letters;2022-03-03

5. High-level thermochemistry for the octasulfur ring: A converged coupled cluster perspective for a challenging second-row system;Chemical Physics Impact;2021-12