Testing Semiempirical QM Methods on a Data Set of...

Journal of Physical Chemistry A 2018 / 02

Testing Semiempirical QM Methods on a Data Set of Interaction Energies Mapping Repulsive Contacts in Organic Molecules

Miriyala, Vijay M., Řezáč, Jan
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Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.8b00260
Date:
February, 2018
File:
PDF, 1.41 MB
english, 2018
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