Fragment molecular orbital calculations under periodic boundary condition
Author:
Funder
Japan Science and Technology Agency
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference49 articles.
1. Pair interaction molecular orbital method: an approximate computational method for molecular interactions
2. Fragment molecular orbital method: an approximate computational method for large molecules
3. Fragment molecular orbital method: application to polypeptides
4. Fragment molecular orbital method: analytical energy gradients
5. Fragment molecular orbital method: use of approximate electrostatic potential
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