Robert Q Topper

发表

Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables.

Mark E Tuckerman, Elia Schneider, Joseph Richard Cendagorta, 2020, The journal of physical chemistry. B.

Cylindrical manifolds in phase space as mediators of chemical reaction dynamics and kinetics. I. Theory

Robert Q Topper, N. D. Leon, M. Mehta, 1991 .

Adaptive Path‐Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties

Robert Q Topper, R. Q. Topper, 2007 .

Energetics, Thermodynamics, and Hydrogen Bonding Diversity in Ammonium Halide Clusters.

Robert Q Topper, John J. H. Biswakarma, Vlad Ciocoi, 2016, The journal of physical chemistry. A.

Cylindrical manifolds in phase space as mediators of chemical reaction dynamics and kinetics. II. Numerical considerations and applications to models with two degrees of freedom

Robert Q Topper, N. D. Leon, M. Mehta, 1991 .

Monte Carlo Studies of the Orientational Order-Disorder Phase Transition in Solid Ammonium Chloride

Robert Q Topper, D. Freeman, 1994, chem-ph/9403002.

Visualizing Molecular Phase Space: Nonstatistical Effects in Reaction Dynamics

Robert Q Topper, R. Q. Topper, 2007 .

Structural characterization of N-acetyl-2-aminofluorene (AAF) adducts to guanine and deoxyguanosine via a molecular mechanics, semi-empirical, and density functional theory cascade

Robert Q Topper, Timothy A. Isgro, N. Mathew, 2004 .

Quantum steam tables. Free energy calculations for H2O, D2O, H2S, and H2Se by adaptively optimized Monte Carlo Fourier path integrals

Robert Q Topper, D. Truhlar, Qi Zhang, 1993 .

Quantum free-energy calculations : a three-dimensional test case

Robert Q Topper, D. Truhlar, G. Tawa, 1992 .