Pure and Applied Chemistry

Keyword detail

Articles with keyword "ab initio methods"

Ponnadurai Ramasami, Hassan H. Abdallah, Edet F. Archibong, Paul Blowers, Thomas A. Ford, Rita Kakkar, Zhigang Shuai and Henry F. Schaefer, III
Assessment of theoretical methods for the study of hydrogen abstraction kinetics of global warming gas species during their degradation and byproduct formation (IUPAC Technical Report)
2013, Vol. 85, Issue 9, pp. 1901-1918 [Details + Abstract] [Full text - pdf 127 kB]