Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods-Reference-Cited by-同舟云学术

Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods

Published:2011-12-22 Issue:1 Volume:8 Page:141-151
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Řezáč Jan¹,Hobza Pavel¹²

Affiliation:

1. Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic and Center for Biomolecules and Complex Molecular Systems, 166 10 Prague, Czech Republic

2. Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Palacky University, 771 46 Olomouc, Czech Republic

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200751e

Reference35 articles.

1. Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

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3. OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application

4. Application of the PM6 method to modeling proteins

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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