Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy-Reference-Cited by-同舟云学术

Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy

Published:2013-09-06 Issue:10 Volume:9 Page:4287-4292
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Dubecký Matúš¹,Jurečka Petr¹,Derian René²,Hobza Pavel¹³,Otyepka Michal¹,Mitas Lubos⁴

Affiliation:

1. Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacký University Olomouc, tř. 17 listopadu 12, 771 46 Olomouc, Czech Republic

2. Institute of Physics, Slovak Academy of Sciences, Dúbravská cesta 9, 845 11 Bratislava, Slovakia

3. Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 166 10 Prague 6, Czech Republic

4. Department of Physics and CHiPS, North Carolina State University, Raleigh, North Carolina 27695, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct4006739

Reference52 articles.

1. Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications

2. Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories

3. Adsorption of Small Organic Molecules on Graphene

4. Toward subchemical accuracy in computational thermochemistry: Focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers

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