Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules-Reference-Cited by-同舟云学术

Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules

Published:2012-07-06 Issue:8 Volume:8 Page:2669-2675
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mayhall Nicholas J.¹,Raghavachari Krishnan¹

Affiliation:

1. Department of Chemistry, Indiana University, Bloomington, Indiana 47405, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300366e

Reference48 articles.

1. Molecules-in-Molecules: An Extrapolated Fragment-Based Approach for Accurate Calculations on Large Molecules and Materials

2. Molecular Tailoring Approach for Simulation of Electrostatic Properties

3. MOLECULAR TAILORING APPROACH: TOWARDS PC-BASED AB INITIO TREATMENT OF LARGE MOLECULES

4. Molecular tailoring approach for geometry optimization of large molecules: Energy evaluation and parallelization strategies

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