Results 351 to 354 of about 1,610,034 (354)

Comparative studies of the lowest singlet states of (O2)2 including ab initio calculations of the four excited states dissociating into O2(1Δg)+O2(1Δg)

Journal of Chemical Physics, 1998
B Bussery-Honvault
exaly  

Ab initio calculations of dispersion coefficients for nucleic acid base pairs

Journal of Chemical Physics, 2006
Terence P Haley
exaly  

Improved counterpoise corrections for the ab initio calculation of hydrogen bonding interactions

Journal of Chemical Physics, 1986
Shi-Yi Liu, Clifford E Dykstra
exaly  

Ab initio band‐structure calculation of the semiconductor β‐FeSi2

Journal of Applied Physics, 1990
exaly