Relative stability of alternative chair forms and hydroxymethyl conformations of β-D-glucopyranose SE Barrows, FJ Dulles, CJ Cramer, AD French, DG Truhlar Carbohydrate research 276 (2), 219-251, 1995 | 217 | 1995 |
Ab initio characterization of phenylnitrenium and phenylcarbene: remarkably different properties for isoelectronic species CJ Cramer, FJ Dulles, DE Falvey Journal of the American Chemical Society 116 (21), 9787-9788, 1994 | 165 | 1994 |
Full valence complete active space SCF, multireference CI, and density functional calculations of 1A1—3B1 singlet—triplet gaps for the valence-isoelectronic series BH-2, CH2 … CJ Cramer, FJ Dulles, JW Storer, SE Worthington Chemical physics letters 218 (5-6), 387-394, 1994 | 120 | 1994 |
Density functional theory: excited states and spin annihilation CJ Cramer, FJ Dulles, DJ Giesen, J Almlöf Chemical physics letters 245 (2-3), 165-170, 1995 | 105 | 1995 |
Density-functional calculations of radicals and diradicals MH Lim, SE Worthington, FJ Dulles, CJ Cramer | 31 | 1996 |
Monte carlo study of small benzene clusters. 1. structure and internal motions FJ Dulles, LS Bartell The Journal of Physical Chemistry 99 (47), 17100-17106, 1995 | 27 | 1995 |
Structure and dynamics of molecular clusters: diagnostic criteria in Monte Carlo computations LS Bartell, FJ Dulles, B Chuko The Journal of Physical Chemistry 95 (17), 6481-6487, 1991 | 26 | 1991 |
Monte Carlo Study of Small Benzene Clusters. 2. Transition from Rigid to Fluxional Forms LS Bartell, FJ Dulles The Journal of Physical Chemistry 99 (47), 17107-17112, 1995 | 14 | 1995 |
Quantum chemical conformational analysis of glucose in the gas phase and in solution SE Barrows, CJ Cramer, FJ Dulles, AD French, DG Truhlar Abstr. Papers Am. Chem. Soc 209, 111, 1995 | 2 | 1995 |
Monte Carlo Studies of Phase Transitions in Clusters of Tellurium Hexafluoride and Benzene FJ Dulles, BJ Chuko, LS Bartell Physics and Chemistry of Finite Systems: From Clusters to Crystals, 393-398, 1992 | 1 | 1992 |
Reply to Comment on “Monte Carlo Study of Small Benzene Clusters. 1. Structure and Internal Motions” LS Bartell, FJ Dulles The Journal of Physical Chemistry B 101 (44), 9138-9138, 1997 | | 1997 |
DENSITY-FUNCTIONAL CALCULATIONS OF RADICALS AND DIRADICALS-THE AGONY AND THE ECSTASY CJ CRAMER, FJ DULLES, MH LIM, BA SMITH, JW STORER, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 209, 41-COMP, 1995 | | 1995 |
Relative stability of alternative chair forms and hydroxymethyl conformations of β-smallcap˜ D-glucopyranose. SE Barrows, FJ Dulles, CJ Cramer, AD French, DG Truhlar | | 1995 |
Monte Carlo simulations of small benzene clusters: Structure, dynamics, diffusion and phase changes FJ Dulles University of Michigan, 1993 | | 1993 |
Full Valence Complete Active Space SCF, Multireference CI, and Density Functional Calculations of 1Ai-3Bi Singlet-Triplet Gaps for the Valence-Isoelectronic Series BH2-, CH2 … CJ Cramer, FJ Dulles, JW Storer, SE Worthingtoñ | | |