Results 291 to 294 of about 205,731 (294)

Ab initio calculations of transition-metal organometallics: structure and molecular properties

Chemical Reviews, 1991
exaly  

Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients

Reviews of Modern Physics, 1992
exaly  

The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data

Journal of Chemical Physics, 1997
exaly  

AB initio calculations on met-cars

1998
Robert G.A.R. Maclagan, Gustavo E. Scuseria   +1 more
openaire   +1 more source