引用次数
引用: 48,449
H-指数: 80
I10-指数 : 230
出版物: 398
Theoretical studies of formyl radical formation in selected combustion reactions. Final report
W.A. Lester , M. Dupuis
1984
Chemical reaction as a quantum transition. [ClI + D. -->. Cl + ID; OH + D. -->. OD + H]
W.A. Lester , V.Z. Kresin , C.E. Dateo , M. Dupuis
1984
2
1981
Electron Transfer at the Cytochrome / Mineral Interface: An Overview of the EMSL BGC Modeling Component
S. Kerisit , K.M. Rosso , M. Dupuis , X. Wang
Annual Environmental Remediation Sciences Program PI Meeting, April 3-5, 2006, Warrenton, VA
2006
AB INITIO CALCULATION OF ELECTRON AFFINITY: $C_{2}$ AND $C_{2}{^{-}}$
M. Dupuis , Bowen Liu
Ohio State University
1979
THEORETICAL STUDY OF INTERMOLECULAR ENERGY TRANSFER OF AN ELECTRONICALLY EXCITED DIATOMIC MOLECULE BY ATOM IMPACT: He(1S) + H2(B1[+u)
W.A. Lester , M. Dupuis
1985
Hydrogen atom migration in the oxidation of aldehydes: O(/sup 3/P)+H/sub 2/CO
M. Dupuis , W.A. Lester
J. Chem. Phys.; (United States)
1984
Theoretical study of intermolecular energy transfer of an electronically excited diatomic molecule by atom impact: He(/sup 1/S) + H/sub 2/(B /sup 1/. sigma. /sup +/ /sub u/)
R.M. Grimes , W.A. Lester , M. Dupuis
1985
Photodissociation as a quantum transition: Photofragment vibrational distributions of C/sub 2/N/sub 2/ (C-italic-tilde /sup 1/Pi/sub u/) predissociation
V.Z. Kresin , M. Dupuis , C.E. Dateo , W A Lester
J. Chem. Phys.; (United States)
1987
Ab initio study of cyanogen: the X vector /sub 1/. sigma. /sub g//sup +/, a vector/sup 3/. sigma. /sub u//sup +/, B vector/sup 1/. delta. /sub u/, and C vector/sup 1/II/sub u/ states
C.E. Dateo , W.A. Lester , M. Dupuis
J. Chem. Phys.; (United States)
1985
Infrared intensities of H/sub 3/O/sup +/, H/sub 2/DO/sup +/, HD/sub 2/O/sup +/, and D/sub 3/O/sup +/
G.P. Raine , H.F. Schaefer , M. Dupuis , M.E. Colvin
J. Chem. Phys.; (United States)
1983
Coupled-channel study of rotational excitation of an electronically excited diatomic molecule by atom impact: He(/sup 1/S)+H/sub 2/ (B /sup 1/. sigma. /sup +//sub u/)
R.M. Grimes , W A Lester , M. Dupuis
J. Chem. Phys.; (United States)
1986
Theoretical study of electrophilic addition: O(/sup 3/P)+C/sub 2/H/sub 4/
T. Takada , J.J. Wendoloski , M. Dupuis , W.A. Lester
J. Chem. Phys.; (United States)
1982
Ab initio study of cyanogen: The X /sup 1/. sigma. /sup +//sub g/, a /sup 3/. sigma. /sup +//sub u/, B /sup 1/. delta. /sub u/, and C /sup 1/Pi/sub u/ states
M. Dupuis , C.E. Dateo , W A Lester
J. Chem. Phys.; (United States)
1985
Hydrogen atom abstraction from aldehydes: OH+H/sub 2/CO and O+H/sub 2/CO
M. Dupuis , W.A. Lester
J. Chem. Phys.; (United States)
1984
Evaluation of molecular integrals over Gaussian basis functions
M. Dupuis , J. Rys , H.F. King
Scopus
913
1976
Systematic GVB study of harmonic vibrational frequencies and dipole moment derivatives; the vinyl radical C2H3 and other simple molecules
M. Dupuis , J.J. Wendoloski
Scopus
85
1984
On charge transport in iron oxides
K. M. Rosso , M. Dupuis
Geochimica et Cosmochimica Acta Supplement 69 ( 10)
3
2005
Low-lying electronic states of nitrosyl cyanide (NCNO): An ab initio MCHF study
M. Dupuis , W. A. Lester
Journal of Chemical Physics 83 ( 8) 3990 -3994
9
1985
Frequency dependent nonlinear optical properties of molecules: formulation and implementation in the HONDO program
S. P. Karna , M. Dupuis
Journal of Computational Chemistry 12 ( 4) 487 -504
369
1991