Concepedia

Da-hong Lu

DL

6

Publications

823

Citations

6

H-Index

1986

Active since

Affiliations

University of Minnesota(Current)

Miami University

San Diego Supercomputer Center

University of Colorado Colorado Springs

Environmental Molecular Sciences Laboratory

Da-hong Lu is an author at University of Minnesota specializing in computational chemistry, chemical kinetics, and engineering.

Top concepts

EngineeringChemical KineticsComputational ChemistryChemistryNatural SciencesQuantum ChemistryPhysical ChemistryPhysicsBiophysicsMolecular Dynamics

Publications per year

1986–1995

6

Publications

6

POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomics

Da-hong Lu, Thanh N. Truong, Vasilios S. Melissas et al. · Computer Physics Communications · 1992 · 561 citations

Chemical Engineering, Engineering, Chemical Analysis +13

MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory

Thanh N. Truong, Da-hong Lu, Gillian C. Lynch et al. · Computer Physics Communications · 1993 · 111 citations

Molecular Dynamics, Engineering, Physics +12

The sensitivity of IVR in benzene to bend–stretch potential energy coupling

Da-hong Lu, William L. Hase, Ralph J. Wolf · The Journal of Chemical Physics · 1986 · 58 citations · Full text

Use of an improved ion–solvent potential-energy function to calculate the reaction rate and α-deuterium and microsolvation kinetic isotope effects for the gas-phase S<i>N</i>2 reaction of Cl−(H2O) with CH3Cl

Xin Zhao, Da-hong Lu, Yi-Ping Liu et al. · The Journal of Chemical Physics · 1992 · 42 citations

Reaction Rate, Engineering, Ch3 Internal Rotation +18

Bond-distance and bond-angle constraints in reaction-path dynamics calculations

Da-hong Lu, Donald G. Truhlar · The Journal of Chemical Physics · 1993 · 41 citations

Engineering, Physics, Bond-angle Constraints +11

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