Compact representation of generalized molecular polarizabilities and efficient calculation of polarization energy in an arbitrary electric field-Reference-Cited by-同舟云学术

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Compact representation of generalized molecular polarizabilities and efficient calculation of polarization energy in an arbitrary electric field

Published:2021-08-05 Issue: Volume: Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Wolinski Krzysztof¹,Pulay Peter²^ORCID

Affiliation:

1. Faculty of Chemistry Maria Curie‐Sklodowska University Lublin Poland

2. Department of Chemistry and Biochemistry University of Arkansas Fayetteville Arkansas USA

Funder

Arkansas Biosciences Institute

Korea National Institute of Health

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26792

Reference27 articles.

1. Molecular modeling of organic and biomolecular systems usingBOSS andMCPRO

2. Multiple Environment Single System Quantum Mechanical/Molecular Mechanical (MESS-QM/MM) Calculations. 1. Estimation of Polarization Energies

3. Ultrafast Quantum Mechanics/Molecular Mechanics Monte Carlo simulations using generalized multipole polarizabilities

4. Efficient calculation of the energy of a molecule in an arbitrary electric field

5. Distributed Multipole Expansions

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