New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling
Author:
Affiliation:
1. Departamento de Química Física, Facultade de Química, Universidade de Santiago de Compostela, Santiago de Compostela 15782, Spain
Funder
Ministerio de Ciencia e Innovación
Xunta de Galicia
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00365
Reference69 articles.
1. Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications
2. Semiempirical molecular orbital models based on the neglect of diatomic differential overlap approximation
3. Approximate Self‐Consistent Molecular Orbital Theory. I. Invariant Procedures
4. Comprehensive Analysis of the Neglect of Diatomic Differential Overlap Approximation
5. Semi-empirical molecular orbital methods including dispersion corrections for the accurate prediction of the full range of intermolecular interactions in biomolecules
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