Approach to regiochemistry using local softness in 1, 3-dipolar cycloadditions. - Asit K. Chandra; Minh Tho Nguyen (J. Comput. Chem., 1998)

Kinetics of the hydrogen abstraction reactions of 1, 1- and 1, 2-difluoroethane with hydroxyl radical: an ab initio study. - Asit K. Chandra; Tadafumi Uchimaru; Masaaki Sugie (J. Comput. Chem., 2000)

Reaction of OH radical with mono-, di-, and trichloroacetaldehyde: an ab initio study. - Asit K. Chandra; Tadafumi Uchimaru (J. Comput. Chem., 2001)

Ab initio study on the structures of fluorinated formates and hydrogen abstraction reaction with OH radical. - Asit K. Chandra; Tadafumi Uchimaru; Masaaki Sugie; Akira Sekiya (J. Comput. Chem., 2003)

Ab initio investigation on the reaction path and rate for the gas-phase reaction of HO + H2O H2O + OH. - Tadafumi Uchimaru; Asit K. Chandra; Seiji Tsuzuki; Masaaki Sugie; Akira Sekiya (J. Comput. Chem., 2003)

Blue shifts of the C-H stretching vibrations in hydrogen-bonded and protonated trimethylamine. Effect of hyperconjugation on bond properties. - Asit K. Chandra; Salma Parveen; Subojit Das; Thérèse Zeegers-Huyskens (J. Comput. Chem., 2008)

A theoretical investigation of the interaction between substituted carbonyl derivatives and water: Open or cyclic complexes? - Asit K. Chandra; Thérèse Zeegers-Huyskens (J. Comput. Chem., 2012)