Semiexperimental Equilibrium Structure of the Lower Energy Conformer of Glycidol by the Mixed Estimation Method
Wissenschaftlicher Artikel
Faculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemiePublished in
Russian Journal of Physical Chemistry A ; 116 (2012), 36. - S. 9116-9122. - ISSN 1089-5639
Link to publication
https://dx.doi.org/10.1021/jp305504xKeywords
ANHARMONIC-FORCE FIELD; EXACT EXCHANGE; BASIS-SETS; AB-INITIO; DENSITY; HYDROGEN; SUBSTITUTION; MOLECULESDewey Decimal Group
DDC 530 / PhysicsDDC 540 / Chemistry & allied sciences