van der Waals Interaction Energies of Small Fragments of P, As, Sb, S, Se, and Te: Comparison of Complete Basis Set Limit CCSD(T) and DFT with Approximate Dispersion-Reference-Cited by-同舟云学术

van der Waals Interaction Energies of Small Fragments of P, As, Sb, S, Se, and Te: Comparison of Complete Basis Set Limit CCSD(T) and DFT with Approximate Dispersion

Published:2012-06-26 Issue:7 Volume:8 Page:2301-2309
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Brndiar Ján¹,Štich Ivan¹

Affiliation:

1. Center for Computational Materials Science, Institute of Physics, Slovak Academy of Sciences, 84511 Bratislava, Slovakia

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300258z

Reference57 articles.

1. Van der Waals Forces

2. Understanding frictional duality and bi-duality: Sb-nanoparticles on HOPG

3. Simulation of frictional behavior of Sb nanoparticles on HOPG: Frictional duality and biduality

4. Toward True DNA Base-Stacking Energies: MP2, CCSD(T), and Complete Basis Set Calculations

5. 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

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