Transition-state optimization by the free energy gradient method: Application to aqueous-phase Menshutkin reaction between ammonia and methyl chloride
Hajime Hirao, Yukihiko Nagae, Masataka NagaokaVolume:
348
Year:
2001
Language:
english
Pages:
7
DOI:
10.1016/s0009-2614(01)01131-9
File:
PDF, 167 KB
english, 2001