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EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions.

ABSTRACT:

SUBMITTER: Margraf JT 

PROVIDER: S-EPMC4435633 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions.

Margraf Johannes T JT   Hennemann Matthias M   Meyer Bernd B   Clark Timothy T  

Journal of molecular modeling 20150517 6

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