James E. Boggs

Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivatives

Péter Pulay, Géza Fogarasi, Frank Pang et al. · Journal of the American Chemical Society · 1979 · 2.1K citations

Natural Sciences, Chemistry, Physics +11

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

Péter Pulay, Géza Fogarasi, Gábor Pongor et al. · Journal of the American Chemical Society · 1983 · 1.6K citations

Natural Sciences, Chemistry, Physics +17

Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and <i>a</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> quantum chemical information

Péter Pulay, Géza Fogarasi, James E. Boggs · The Journal of Chemical Physics · 1981 · 439 citations

Natural Sciences, Chemistry, Physics +17

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

Branko Ruščić, James E. Boggs, Alexander Burcat et al. · Journal of Physical and Chemical Reference Data · 2005 · 308 citations

Natural Sciences, Chemical Engineering, Chemistry +16

Cubic force constants and equilibrium geometry of methane from Hartree–Fock and correlated wavefunctions

Péter Pulay, Wilfried Meyer, James E. Boggs · The Journal of Chemical Physics · 1978 · 246 citations

Natural Sciences, Chemistry, Physics +17