Including Charge Penetration Effects in Molecular Modeling-Reference-Cited by-同舟云学术

Including Charge Penetration Effects in Molecular Modeling

Published:2010-10-11 Issue:11 Volume:6 Page:3330-3342
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wang Bo¹,Truhlar Donald G.¹

Affiliation:

1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street S.E., Minneapolis, Minnesota 55455-0431, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct1003862

Reference74 articles.

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2. Sherwood, P.InModern Methods and Algorithms of Quantum Chemistry,Grotendorst, J., Ed.John von Neumann Institute for Computing:Jülich, 2000; p285.

3. QM/MM: what have we learned, where are we, and where do we go from here?

4. QM/MM Methods for Biomolecular Systems

5. Hybrid atomistic simulation methods for materials systems

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