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2 articles related to "Basis Set Superposition Error"

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Articles

Original Research

Published on 18 Jan 2019

Theoretical Investigation on H2O2-Ng (He, Ne, Ar, Kr, Xe, and Rn) Complexes Suitable for Stereodynamics: Interactions and Thermal Chiral Rate Consequences

in Chemical Physics and Physical Chemistry

Yuri Alves de Oliveira Só
Pedro Henrique de Oliveira Neto
Luiz Guilherme Machado de Macedo
Ricardo Gargano

Frontiers in Chemistry

doi 10.3389/fchem.2018.00671

6,656 views
7 citations

Original Research

Published on 20 Nov 2023

Generation of an accurate CCSD(T)/CBS data set and assessment of DFT methods for the binding strengths of group I metal–nucleic acid complexes

in Theoretical and Computational Chemistry

Briana T. A. Boychuk
Sarah P. Meyer
Stacey D. Wetmore

Frontiers in Chemistry

doi 10.3389/fchem.2023.1296787

3,201 views