J. Russell Thomas

The balance between theoretical method and basis set quality: A systematic study of equilibrium geometries, dipole moments, harmonic vibrational frequencies, and infrared intensities

J. Russell Thomas, Bradley J. DeLeeuw, George Vacek et al. · The Journal of Chemical Physics · 1993 · 228 citations

Spectroscopic Property, Engineering, Physics +15

A systematic theoretical study of the harmonic vibrational frequencies for polyatomic molecules: The single, double, and perturbative triple excitation coupled-cluster [CCSD(T)] method

J. Russell Thomas, Bradley J. DeLeeuw, George Vacek et al. · The Journal of Chemical Physics · 1993 · 87 citations

Engineering, Computational Chemistry, Chemistry +17

Isomerization reactions on the lowest potential energy hypersurface of triplet vinylidene and triplet acetylene

George Vacek, J. Russell Thomas, Bradley J. DeLeeuw et al. · The Journal of Chemical Physics · 1993 · 39 citations

Triplet Acetylene, Chemical Engineering, Organic Material Chemistry +15

The Rotational Configuration and Dipole Moments of 1,1,2-Trichloroethane and 1,1,2,2-Tetrachloroethane

J. Russell Thomas, William D. Gwinn · Journal of the American Chemical Society · 1949 · 37 citations

Engineering, Chemical Analysis, Theoretical Inorganic Chemistry +19

The unknown unsubstituted tetrazines: 1,2,3,4-tetrazine and 1,2,3,5-tetrazine

J. Russell Thomas, Geoffrey E. Quelch, Henry F. Schaefer · The Journal of Organic Chemistry · 1991 · 24 citations

Altmetrics, Diversity Oriented Synthesis, Molecular Sciences +15