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Results: 1-25 | 26-27
Results: 1-25/27
DIRECT EVALUATION OF THE ELECTRON-TRANSFER INTEGRAL FOR SELF-EXCHANGEREACTIONS IN SOLUTION
Authors: BU YX WANG YX XU FQ DENG CH
Citation: Yx. Bu et al., DIRECT EVALUATION OF THE ELECTRON-TRANSFER INTEGRAL FOR SELF-EXCHANGEREACTIONS IN SOLUTION, Journal of molecular structure. Theochem, 453, 1998, pp. 43-48
STRUCTURE AND PROPERTY STUDY OF THE O-2-2(-) ELECTRON-TRANSFER SYSTEM(O)
Authors: BU YX WANG YX SUN HT DENG CH
Citation: Yx. Bu et al., STRUCTURE AND PROPERTY STUDY OF THE O-2-2(-) ELECTRON-TRANSFER SYSTEM(O), Journal of molecular structure. Theochem, 429, 1998, pp. 143-151
CORRELATION STUDY OF FRANCK-CONDON BARRIERS ASSOCIATED WITH ELECTRON SELF-EXCHANGE REACTIONS WITH IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES AND EXPERIMENTAL BORN-OPPENHEIMER POTENTIALS
Authors: BU YX LIU YJ DENG CH
Citation: Yx. Bu et al., CORRELATION STUDY OF FRANCK-CONDON BARRIERS ASSOCIATED WITH ELECTRON SELF-EXCHANGE REACTIONS WITH IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES AND EXPERIMENTAL BORN-OPPENHEIMER POTENTIALS, Journal of molecular structure. Theochem, 422, 1998, pp. 219-228
HYDRATION MODEL FOR THE ENERGY BARRIER IN SELF-EXCHANGE ELECTRON-TRANSFER REACTIONS IN SOLUTION
Authors: BU YX DENG CH
Citation: Yx. Bu et Ch. Deng, HYDRATION MODEL FOR THE ENERGY BARRIER IN SELF-EXCHANGE ELECTRON-TRANSFER REACTIONS IN SOLUTION, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(7), 1997, pp. 1198-1205
ELECTRONIC FACTOR IN ELECTRON SELF-EXCHANGE REACTION OF HYDRATED REDOX ION-PAIRS FROM THERMODYNAMIC DATA
Authors: BU YX DENG CH
Citation: Yx. Bu et Ch. Deng, ELECTRONIC FACTOR IN ELECTRON SELF-EXCHANGE REACTION OF HYDRATED REDOX ION-PAIRS FROM THERMODYNAMIC DATA, Chinese journal of chemistry, 15(3), 1997, pp. 201-210
TIME-DEPENDENT TREATMENT OF INTRAMOLECULAR ENERGY-TRANSFER FOR HEICL COMPLEX
Authors: ZHAO X BU YX WU AL GUAN DR
Citation: X. Zhao et al., TIME-DEPENDENT TREATMENT OF INTRAMOLECULAR ENERGY-TRANSFER FOR HEICL COMPLEX, Chinese journal of chemistry, 15(3), 1997, pp. 218-224
AB-INITIO TIME-DEPENDENT PERTURBATION STUDY OF TUNNELING EFFECT IN THE ABSTRACTION OF HYDROGEN FROM METHANE BY METHYL RADICAL
Authors: BU YX DING YJ DENG CH
Citation: Yx. Bu et al., AB-INITIO TIME-DEPENDENT PERTURBATION STUDY OF TUNNELING EFFECT IN THE ABSTRACTION OF HYDROGEN FROM METHANE BY METHYL RADICAL, Journal of molecular structure. Theochem, 417(1-2), 1997, pp. 69-80
NONADIABATIC ELECTRON-TRANSFER RATE OF HYDRATED FE2+ FE3+ REDOX COUPLES IN SOLUTION - A NOVEL SCHEME FOR THE HYDRATION POTENTIAL FUNCTION/
Authors: GUAN DR BU YX DENG CH
Citation: Dr. Guan et al., NONADIABATIC ELECTRON-TRANSFER RATE OF HYDRATED FE2+ FE3+ REDOX COUPLES IN SOLUTION - A NOVEL SCHEME FOR THE HYDRATION POTENTIAL FUNCTION/, Journal of molecular structure. Theochem, 417(1-2), 1997, pp. 145-155
A HYDRATION FUNCTION SCHEME OF ELECTRON-TRANSFER KINETICS FOR HYDRATED REDOX COUPLES IN SOLUTION AND ITS APPLICATION IN THE CR2+(AQ) CR3+(AQ) SYSTEM/
Authors: BU YX HE FX DING YJ DENG CH
Citation: Yx. Bu et al., A HYDRATION FUNCTION SCHEME OF ELECTRON-TRANSFER KINETICS FOR HYDRATED REDOX COUPLES IN SOLUTION AND ITS APPLICATION IN THE CR2+(AQ) CR3+(AQ) SYSTEM/, Journal of molecular structure. Theochem, 401(1-2), 1997, pp. 35-43
THEORETICAL-STUDY OF ELECTRONIC TRANSMISSION COEFFICIENT OF OUTER-SPHERE ELECTRON SELF-EXCHANGE REACTIONS IN SOLUTION - A HYDRATION FUNCTION SCHEME
Authors: BU YX LIU YJ CAO YS DENG CH
Citation: Yx. Bu et al., THEORETICAL-STUDY OF ELECTRONIC TRANSMISSION COEFFICIENT OF OUTER-SPHERE ELECTRON SELF-EXCHANGE REACTIONS IN SOLUTION - A HYDRATION FUNCTION SCHEME, Journal of molecular structure. Theochem, 393, 1997, pp. 197-205
REORGANIZATION ENERGIES OF ELECTRON HETERO-EXCHANGE REACTIONS OF HYDRATED REDOX PAIRS IN SOLUTION FROM A HYDRATION FUNCTION MODEL
Authors: BU YX XU FQ DENG CH
Citation: Yx. Bu et al., REORGANIZATION ENERGIES OF ELECTRON HETERO-EXCHANGE REACTIONS OF HYDRATED REDOX PAIRS IN SOLUTION FROM A HYDRATION FUNCTION MODEL, Journal of molecular structure. Theochem, 392, 1997, pp. 141-152
EFFECT OF DIFFERENT SUBSETS ON CONVERGENCE PATTERNS OF HYPERSPHERICALHARMONIC EXPANSION FOR THE S-STATES OF THE HELIUM ATOM
Authors: WANG YX BU YX DENG CH
Citation: Yx. Wang et al., EFFECT OF DIFFERENT SUBSETS ON CONVERGENCE PATTERNS OF HYPERSPHERICALHARMONIC EXPANSION FOR THE S-STATES OF THE HELIUM ATOM, International journal of quantum chemistry, 64(6), 1997, pp. 661-668
NONEMPIRICAL AB-INITIO STUDIES ON INNER-SPHERE REORGANIZATION ENERGIES OF M(2+)(H2O)(6) M(3+)(H2O)(6) REDOX COUPLES AT VALENCE BASIS LEVEL/
Authors: BU YX DING YJ HE FX JIANG LF SONG XY
Citation: Yx. Bu et al., NONEMPIRICAL AB-INITIO STUDIES ON INNER-SPHERE REORGANIZATION ENERGIES OF M(2+)(H2O)(6) M(3+)(H2O)(6) REDOX COUPLES AT VALENCE BASIS LEVEL/, International journal of quantum chemistry, 61(1), 1997, pp. 117-126
THEORETICAL-STUDY OF LANDAU-ZENER ELECTRONIC TRANSMISSION FACTOR FOR OUTER-SPHERE ELECTRON-TRANSFER REACTIONS IN SOLUTION
Authors: BU YX DENG CH
Citation: Yx. Bu et Ch. Deng, THEORETICAL-STUDY OF LANDAU-ZENER ELECTRONIC TRANSMISSION FACTOR FOR OUTER-SPHERE ELECTRON-TRANSFER REACTIONS IN SOLUTION, Journal of physical chemistry, 100(46), 1996, pp. 18093-18100
AB-INITIO STUDIES ON HYDROGEN-TRANSFER TUNNELING FOR CL+HCL ABSTRACTION HYDROGEN REACTION
Authors: BU YX CAO ZH SONG XY
Citation: Yx. Bu et al., AB-INITIO STUDIES ON HYDROGEN-TRANSFER TUNNELING FOR CL+HCL ABSTRACTION HYDROGEN REACTION, International journal of quantum chemistry, 57(1), 1996, pp. 95-104
AN INNER-SPHERE REORGANIZATION MODEL OF HETERO-EXCHANGE ELECTRON-TRANSFER REACTION OF DIATOMIC REACTANTS
Authors: BU YX SONG XY DENG CH
Citation: Yx. Bu et al., AN INNER-SPHERE REORGANIZATION MODEL OF HETERO-EXCHANGE ELECTRON-TRANSFER REACTION OF DIATOMIC REACTANTS, Chemical physics letters, 250(5-6), 1996, pp. 455-460
A THEORETICAL SCHEME TO OBTAIN THE INNER-SPHERE REORGANIZATION ENERGIES FOR HA-EXCHANGE REACTIONS VIA IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES(HA(+) (A=BE, B, C, N, O AND F) SELF)
Authors: BU YX SONG XY DENG CH
Citation: Yx. Bu et al., A THEORETICAL SCHEME TO OBTAIN THE INNER-SPHERE REORGANIZATION ENERGIES FOR HA-EXCHANGE REACTIONS VIA IONIZATION-POTENTIALS AND ELECTRON-AFFINITIES(HA(+) (A=BE, B, C, N, O AND F) SELF), Journal of molecular structure. Theochem, 358, 1995, pp. 211-218
AB-INITIO STUDY OF INNER-SPHERE REORGANIZATION ENERGY FOR DIATOMIC-MOLECULES IN GAS-PHASE ELECTRON-TRANSFER PROCESSES
Authors: BU YX ZHANG YH
Citation: Yx. Bu et Yh. Zhang, AB-INITIO STUDY OF INNER-SPHERE REORGANIZATION ENERGY FOR DIATOMIC-MOLECULES IN GAS-PHASE ELECTRON-TRANSFER PROCESSES, Journal of molecular structure. Theochem, 342, 1995, pp. 211-217
THE INNER-SPHERE REORGANIZATION ENERGIES FOR AH(3)-)) (A=B, C, N) SELF-EXCHANGE REACTIONS FROM AB-INITIO CALCULATIONS(AH(3)(+()
Authors: BU YX YANG ZL CAO ZH
Citation: Yx. Bu et al., THE INNER-SPHERE REORGANIZATION ENERGIES FOR AH(3)-)) (A=B, C, N) SELF-EXCHANGE REACTIONS FROM AB-INITIO CALCULATIONS(AH(3)(+(), Journal of molecular structure. Theochem, 334(1), 1995, pp. 51-58
THEORETICAL INNER-SPHERE REORGANIZATION ENERGIES OF GASEOUS DIATOMIC-MOLECULES FROM VIBRATIONAL SPECTROSCOPIC DATA
Authors: BU YX
Citation: Yx. Bu, THEORETICAL INNER-SPHERE REORGANIZATION ENERGIES OF GASEOUS DIATOMIC-MOLECULES FROM VIBRATIONAL SPECTROSCOPIC DATA, Journal of physical chemistry, 99(30), 1995, pp. 11650-11655
THE INNER-SPHERE REORGANIZATION ENERGIES FOR AH(2)-)) (A=AL, SI, P, S) ELECTRON SELF-EXCHANGE REACTIONS IN ELECTRON-TRANSFER PROCESSES FROMAB-INITIO CALCULATIONS(AH(2)(+()
Authors: BU YX CAO ZH YANG ZL
Citation: Yx. Bu et al., THE INNER-SPHERE REORGANIZATION ENERGIES FOR AH(2)-)) (A=AL, SI, P, S) ELECTRON SELF-EXCHANGE REACTIONS IN ELECTRON-TRANSFER PROCESSES FROMAB-INITIO CALCULATIONS(AH(2)(+(), International journal of quantum chemistry, 55(4), 1995, pp. 329-337
THEORETICAL-STUDIES ON THE INNER-SPHERE REORGANIZATION ENERGIES FOR THE SELF-EXCHANGE REACTIONS OF GAS-PHASE DIATOMIC-MOLECULES HA (A=MG, AL, SI, P, S, CL)
Authors: BU YX ZHANG YH QIU LL
Citation: Yx. Bu et al., THEORETICAL-STUDIES ON THE INNER-SPHERE REORGANIZATION ENERGIES FOR THE SELF-EXCHANGE REACTIONS OF GAS-PHASE DIATOMIC-MOLECULES HA (A=MG, AL, SI, P, S, CL), International journal of quantum chemistry, 54(4), 1995, pp. 249-259
AB-INITIO STUDY OF THE STRUCTURAL REORGANIZATION OF AH2 (A=B, C, N, O) MOLECULES IN A GASEOUS-PHASE ELECTRON-TRANSFER PROCESS
Authors: BU YX WANG BA
Citation: Yx. Bu et Ba. Wang, AB-INITIO STUDY OF THE STRUCTURAL REORGANIZATION OF AH2 (A=B, C, N, O) MOLECULES IN A GASEOUS-PHASE ELECTRON-TRANSFER PROCESS, Journal of molecular structure. Theochem, 119(2), 1994, pp. 275-282
THE THEORETICAL SCALE METHOD AND AB-INITIO CALCULATION OF STRUCTURAL REORGANIZATION ENERGY FOR DIATOMIC HYDRIDES OF 1ST ROW ELEMENTS IN ELECTRON-TRANSFER PROCESS
Authors: BU YX
Citation: Yx. Bu, THE THEORETICAL SCALE METHOD AND AB-INITIO CALCULATION OF STRUCTURAL REORGANIZATION ENERGY FOR DIATOMIC HYDRIDES OF 1ST ROW ELEMENTS IN ELECTRON-TRANSFER PROCESS, Journal of molecular structure. Theochem, 115(2), 1994, pp. 121-135
EXPERIMENT SCALE OF REORGANIZATION FREE-ENERGY FOR DIATOMIC-MOLECULESIN THE GASEOUS-PHASE IN ELECTRON-TRANSFER PROCESSES .1. THE METHOD OFMODIFYING THE OSCILLATOR POTENTIAL
Authors: BU YX
Citation: Yx. Bu, EXPERIMENT SCALE OF REORGANIZATION FREE-ENERGY FOR DIATOMIC-MOLECULESIN THE GASEOUS-PHASE IN ELECTRON-TRANSFER PROCESSES .1. THE METHOD OFMODIFYING THE OSCILLATOR POTENTIAL, Journal of physical chemistry, 98(9), 1994, pp. 2290-2293
Risultati: 1-25 | 26-27