H. Bernard Schlegel

An ab initio MO study of the thermal decomposition of chlorinated monosilanes, SiH4-nCln (n = 0-4)

Ming Der Su, H. Bernard Schlegel · The Journal of Physical Chemistry · 1993 · 84 citations

Materials Science, Inorganic Chemistry, Chemical Engineering +15

MLCT excited states and charge delocalization in some ruthenium–ammine–polypyridyl complexes

John F. Endicott, H. Bernard Schlegel, Md. Jamal Uddin et al. · Coordination Chemistry Reviews · 2002 · 67 citations

Inorganic Chemistry, Excited State Property, Localized Excited State +9

Transition structure for the epoxidation of alkenes with peroxy acids. A theoretical study

Robert D. Bach, Amy L. Owensby, Carlos González et al. · Journal of the American Chemical Society · 1991 · 53 citations

Chemical Measurement, Theoretical Study, Engineering +13

Do supra-antara paths really exist for 2 + 2 cycloaddition reactions? Analytical computation of the MC-SCF Hessians for transition states of ethylene with ethylene, singlet oxygen, and ketene

Fernando Bernardi, Andréa Bottoni, Massimo Olivucci et al. · Journal of the American Chemical Society · 1988 · 43 citations

The relationship of the carcinogenic/mutagenic potential of arylamines to their singlet-triplet nitrenium ion energies

George D. Hartman, H. Bernard Schlegel · Chemico-Biological Interactions · 1981 · 20 citations · Full text