Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons-Reference-Cited by-同舟云学术

Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons

Published:2008-10-28 Issue:12 Volume:4 Page:2030-2048
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Peverati Roberto¹,Baldridge Kim K¹

Affiliation:

1. University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800252z

Reference119 articles.

1. Steric Isotope Effects Gauged by the Bowl-Inversion Barrier in Selectively Deuterated Pentaarylcorannulenes

2. Coordination of Buckybowls: The First Concave-Bound Metal Complex

3. Ab initio and TDDFT study of the structural and spectroscopic properties of buckybowls: Corannulene and two methylcorannulenes

4. Betowski, L. D.; Enlow, M.; Riddick, L.; Aue, D. H. 2007, 111, 3672

Cited by 165 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. OsO4 detection by a Ni-decorated boron nitride nanocluster: a density functional theory study;Bulletin of Materials Science;2024-08-06

2. Controlling the asphaltene precipitation behaviors by changing the position and number of nitrogen in the aromatic heterocyclic pendant of polymers with the assistance of DFT calculations;Journal of Applied Polymer Science;2024-07-20

3. Pitched π-Stacking Crystal Structure and Two-Dimensional Electronic Structure of Acenaphtho[1,2-k]fluoranthene Analogues with Various Substituents;Crystal Growth & Design;2024-02-10

4. Adsorption of molecular hydrogen on Be₃Al₂(SiO₃)₆-beryl: theoretical insights for catalysis, hydrogen storage, gas separation, sensing, and environmental applications;RSC Advances;2024

5. Relayed Heteroatom Group Transfer: A Structural Reorganization between Bisthioester and Triaminophosphine to α,α-Disulfenylamide;Organic Letters;2023-12-11