Cary F. Chabalowski
Johns Hopkins University(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Molecular spectroscopy and chirality, Quantum, superfluid, helium dynamics, Molecular Junctions and Nanostructures
Most-Cited Works
- → Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields(1994)22,660 cited
- → Using Kohn−Sham Orbitals in Symmetry-Adapted Perturbation Theory to Investigate Intermolecular Interactions(2000)283 cited
- → Theoretical calculation of vibrational circular dichroism spectra(1994)178 cited
- → First-principles calculations of the adsorption, diffusion, and dissociation of a CO molecule on the Fe(100) surface(2002)142 cited
- → Ab Initio and Nonlocal Density Functional Study of 1,3,5-Trinitro-s-triazine (RDX) Conformers(1997)140 cited
- → An ab Initio Study of Solid Nitromethane, HMX, RDX, and CL20: Successes and Failures of DFT(2004)132 cited
- → The Ballik-Ramsay, Mulliken, Deslandres-d'Azambuja and Phillips systems in C2: a theoretical study of their electronic transition moments(1983)79 cited
- → Ab Initio Interaction Potentials for Simulations of Dimethylnitramine Solutions in Supercritical Carbon Dioxide with Cosolvents(1999)77 cited
- → Ab initio calculation of vibrational circular dichroism spectra using large basis set MP2 force fields(1994)75 cited
- → A b i n i t i o study of the locations and intensities of the lowest-lying electronic transitions of the C3 and C2O molecules(1986)41 cited