Large scale MP2 calculations with fragment molecular orbital scheme
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference33 articles.
1. Virtual Screening for Bioactive Molecules (Methods and Principles in Medicinal Chemistry);Böhn,2000
2. An Introduction to Hydrogen Bonding;Jeffrey,1997
3. Pair interaction molecular orbital method: an approximate computational method for molecular interactions
4. Fragment molecular orbital method: an approximate computational method for large molecules
5. Fragment molecular orbital method: application to polypeptides
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