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A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: Multi-center molecular Ornstein–Zernike self-consistent field approach
Kido, Kentaro, Kasahara, Kento, Yokogawa, Daisuke, Sato, HirofumiVolume:
143
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4923007
Date:
July, 2015
File:
PDF, 1.97 MB
english, 2015