Toward the Exact Solution of the Electronic Schrödinger Equation for Noncovalent Molecular Interactions: Worldwide Distributed Quantum Monte Carlo Calculations-Reference-Cited by-同舟云学术

Toward the Exact Solution of the Electronic Schrödinger Equation for Noncovalent Molecular Interactions: Worldwide Distributed Quantum Monte Carlo Calculations

Published:2008-01-18 Issue:10 Volume:112 Page:2104-2109
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Korth Martin¹,Lüchow Arne¹,Grimme Stefan¹

Affiliation:

1. Organisch-Chemisches Institut, Universität Münster, Corrensstrasse 40, D-48149 Münster, Germany and Institut für Physikalische Chemie, RWTH Aachen University, D-52056 Aachen, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp077592t

Reference36 articles.

1. Pairing of isolated nucleic-acid bases in the absence of the DNA backbone

2. Electronic properties, hydrogen bonding, stacking, and cation binding of DNA and RNA bases

3. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

4. The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking

5. High-Accuracy Quantum Mechanical Studies of π−π Interactions in Benzene Dimers

Cited by 46 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. TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods;The Journal of Chemical Physics;2023-12-11

2. Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo;ACS Omega;2021-09-16

3. Non-Covalent Forces in Naphthazarin—Cooperativity or Competition in the Light of Theoretical Approaches;International Journal of Molecular Sciences;2021-07-27

4. Noncovalent Interactions by the Quantum Monte Carlo Method: Strong Influence of Isotropic Jastrow Cutoff Radii;Journal of Chemical Theory and Computation;2021-06-25

5. Inconsistencies in ab initio evaluations of non-additive contributions of DNA stacking energies;Chemical Physics;2020-01