Open AccessAssessment of the Performance of B2PLYP-D for Describing Intramolecular π-π and σ-π Interactions
Author(s) -
Tae Hoon Choi,
YoungKyu Han
Publication year - 2011
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
eISSN - 1229-5949
pISSN - 0253-2964
DOI - 10.5012/bkcs.2011.32.12.4195
Subject(s) - intramolecular force , ab initio , sigma , folding (dsp implementation) , ab initio quantum chemistry methods , computational chemistry , physics , chemistry , molecule , quantum mechanics , engineering , mechanical engineering