Accurate equilibrium structures of fluoro- and chloroderivatives of methane
Wissenschaftlicher Artikel
Faculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemiePublished in
Molecular physics ; 112 (2014), 22. - S. 2873-2883. - ISSN 0026-8976. - eISSN 1362-3028
Link to publication
https://dx.doi.org/10.1080/00268976.2014.915067Funding information
Dr Barbara Mez-Starck Foundation
Keywords
fluoromethanes; chloromethanes; chlorofluoromethanes; ab initio; equilibrium structure; semi-experimental structure; ANHARMONIC-FORCE FIELD; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; AB-INITIO; MICROWAVE-SPECTRUM; ELECTRON-DIFFRACTION; POLYATOMIC-MOLECULES; METHYLENE-CHLORIDE; MILLIMETER-WAVE; NUMERICAL-INTEGRATIONDewey Decimal Group
DDC 530 / PhysicsDDC 540 / Chemistry & allied sciences