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Results: 1-25 | 26-35
Results: 1-25/35
DOUBLE HARMONIC VIBRATIONAL 2ND HYPERPOLARIZABILITIES OF POLYYNE CHAINS
Authors: PERPETE EA CHAMPAGNE B ANDRE JM KIRTMAN B
Citation: Ea. Perpete et al., DOUBLE HARMONIC VIBRATIONAL 2ND HYPERPOLARIZABILITIES OF POLYYNE CHAINS, Journal of molecular structure. Theochem, 425(1-2), 1998, pp. 115-122
EFFECT OF SOLID-STATE INTERACTIONS ON THE VIBRATIONAL HYPERPOLARIZABILITY OF ALL-TRANS POLYACETYLENE CHAINS FROM AB-INITIO HARTREE-FOCK CALCULATIONS
Authors: CHAMPAGNE B KIRTMAN B
Citation: B. Champagne et B. Kirtman, EFFECT OF SOLID-STATE INTERACTIONS ON THE VIBRATIONAL HYPERPOLARIZABILITY OF ALL-TRANS POLYACETYLENE CHAINS FROM AB-INITIO HARTREE-FOCK CALCULATIONS, The Journal of chemical physics, 109(15), 1998, pp. 6450-6455
SIMPLE FINITE-FIELD METHOD FOR CALCULATION OF STATIC AND DYNAMIC VIBRATIONAL HYPERPOLARIZABILITIES - CURVATURE CONTRIBUTIONS
Authors: KIRTMAN B LUIS JM BISHOP DM
Citation: B. Kirtman et al., SIMPLE FINITE-FIELD METHOD FOR CALCULATION OF STATIC AND DYNAMIC VIBRATIONAL HYPERPOLARIZABILITIES - CURVATURE CONTRIBUTIONS, The Journal of chemical physics, 108(24), 1998, pp. 10008-10012
ADDITIONAL COMPACT FORMULAS FOR VIBRATIONAL DYNAMIC DIPOLE POLARIZABILITIES AND HYPERPOLARIZABILITIES
Authors: BISHOP DM LUIS JM KIRTMAN B
Citation: Dm. Bishop et al., ADDITIONAL COMPACT FORMULAS FOR VIBRATIONAL DYNAMIC DIPOLE POLARIZABILITIES AND HYPERPOLARIZABILITIES, The Journal of chemical physics, 108(24), 1998, pp. 10013-10017
NUCLEAR-RELAXATION CONTRIBUTION TO STATIC AND DYNAMIC (INFINITE FREQUENCY APPROXIMATION) NONLINEAR-OPTICAL PROPERTIES BY MEANS OF ELECTRICAL PROPERTY EXPANSIONS - APPLICATION TO HF, CH4, CF4, AND SF6
Authors: LUIS JM MARTI J DURAN M ANDRES JL KIRTMAN B
Citation: Jm. Luis et al., NUCLEAR-RELAXATION CONTRIBUTION TO STATIC AND DYNAMIC (INFINITE FREQUENCY APPROXIMATION) NONLINEAR-OPTICAL PROPERTIES BY MEANS OF ELECTRICAL PROPERTY EXPANSIONS - APPLICATION TO HF, CH4, CF4, AND SF6, The Journal of chemical physics, 108(10), 1998, pp. 4123-4130
COMMENT ON THE HYPERPOLARIZABILITY OF TRANS-BUTADIENE - A CRITICAL TEST-CASE FOR QUANTUM-CHEMICAL MODELS [J. CHEM. PHYS. 106, 1827 (1997)]
Authors: KIRTMAN B TOTO JL BRENEMAN C DEMELO CP BISHOP DM
Citation: B. Kirtman et al., COMMENT ON THE HYPERPOLARIZABILITY OF TRANS-BUTADIENE - A CRITICAL TEST-CASE FOR QUANTUM-CHEMICAL MODELS [J. CHEM. PHYS. 106, 1827 (1997)], The Journal of chemical physics, 108(10), 1998, pp. 4355-4357
AB-INITIO COUPLED HARTREE-FOCK-INVESTIGATION OF THE STATIC FIRST HYPERPOLARIZABILITY OF MODEL ALL-TRANS-POLYMETHINEIMINE OLIGOMERS OF INCREASING SIZE
Authors: CHAMPAGNE B JACQUEMIN D ANDRE JM KIRTMAN B
Citation: B. Champagne et al., AB-INITIO COUPLED HARTREE-FOCK-INVESTIGATION OF THE STATIC FIRST HYPERPOLARIZABILITY OF MODEL ALL-TRANS-POLYMETHINEIMINE OLIGOMERS OF INCREASING SIZE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(17), 1997, pp. 3158-3165
ANALYSIS OF THE VIBRATIONAL STATIC AND DYNAMIC 2ND HYPERPOLARIZABILITIES OF POLYACETYLENE CHAINS
Authors: CHAMPAGNE B PERPETE EA ANDRE JM KIRTMAN B
Citation: B. Champagne et al., ANALYSIS OF THE VIBRATIONAL STATIC AND DYNAMIC 2ND HYPERPOLARIZABILITIES OF POLYACETYLENE CHAINS, Synthetic metals, 85(1-3), 1997, pp. 1047-1050
MOLECULAR FIRST HYPERPOLARIZABILITY OF PUSH-PULL POLYENES - RELATIONSHIP BETWEEN ELECTRONIC AND VIBRATIONAL CONTRIBUTION BY A 2-STATE MODEL- COMMENT
Authors: BISHOP DM KIRTMAN B
Citation: Dm. Bishop et B. Kirtman, MOLECULAR FIRST HYPERPOLARIZABILITY OF PUSH-PULL POLYENES - RELATIONSHIP BETWEEN ELECTRONIC AND VIBRATIONAL CONTRIBUTION BY A 2-STATE MODEL- COMMENT, Physical review. B, Condensed matter, 56(4), 1997, pp. 2273-2274
NONLINEAR-OPTICAL PROPERTIES OF QUASI-LINEAR CONJUGATED OLIGOMERS, POLYMERS AND ORGANIC-MOLECULES
Authors: KIRTMAN B CHAMPAGNE B
Citation: B. Kirtman et B. Champagne, NONLINEAR-OPTICAL PROPERTIES OF QUASI-LINEAR CONJUGATED OLIGOMERS, POLYMERS AND ORGANIC-MOLECULES, International reviews in physical chemistry, 16(4), 1997, pp. 389-420
LINEAR AND NONLINEAR POLARIZABILITIES OF POLYDIACETYLENE AND POLYBUTATRIENE CHAINS - AN AB-INITIO COUPLED HARTREE-FOCK INVESTIGATION
Authors: PERPETE EA CHAMPAGNE B KIRTMAN B
Citation: Ea. Perpete et al., LINEAR AND NONLINEAR POLARIZABILITIES OF POLYDIACETYLENE AND POLYBUTATRIENE CHAINS - AN AB-INITIO COUPLED HARTREE-FOCK INVESTIGATION, The Journal of chemical physics, 107(7), 1997, pp. 2463-2480
DIFFERENCES BETWEEN THE EXACT SUM-OVER-STATES AND THE CANONICAL APPROXIMATION FOR THE CALCULATION OF STATIC AND DYNAMIC HYPERPOLARIZABILITIES
Authors: BISHOP DM KIRTMAN B CHAMPAGNE B
Citation: Dm. Bishop et al., DIFFERENCES BETWEEN THE EXACT SUM-OVER-STATES AND THE CANONICAL APPROXIMATION FOR THE CALCULATION OF STATIC AND DYNAMIC HYPERPOLARIZABILITIES, The Journal of chemical physics, 107(15), 1997, pp. 5780-5787
AB-INITIO STATIC POLARIZABILITY AND FIRST HYPERPOLARIZABILITY OF MODEL POLYMETHINEIMINE CHAINS .2. EFFECTS OF CONFORMATION AND OF SUBSTITUTION BY DONOR ACCEPTOR END-GROUPS/
Authors: JACQUEMIN D CHAMPAGNE B KIRTMAN B
Citation: D. Jacquemin et al., AB-INITIO STATIC POLARIZABILITY AND FIRST HYPERPOLARIZABILITY OF MODEL POLYMETHINEIMINE CHAINS .2. EFFECTS OF CONFORMATION AND OF SUBSTITUTION BY DONOR ACCEPTOR END-GROUPS/, The Journal of chemical physics, 107(13), 1997, pp. 5076-5087
EXPLORATORY PARISER-PARR-POPLE INVESTIGATION OF THE STATIC FIRST HYPERPOLARIZABILITY OF POLYMETHINEIMINE CHAINS
Authors: JACQUEMIN D CHAMPAGNE B ANDRE JM KIRTMAN B
Citation: D. Jacquemin et al., EXPLORATORY PARISER-PARR-POPLE INVESTIGATION OF THE STATIC FIRST HYPERPOLARIZABILITY OF POLYMETHINEIMINE CHAINS, Chemical physics, 213(1-3), 1996, pp. 217-228
AB-INITIO FINITE OLIGOMER METHOD FOR NONLINEAR-OPTICAL PROPERTIES OF CONJUGATED POLYMERS - NONRESONANT FREQUENCY DISPERSION IN POLYACETYLENE
Authors: HASAN M KIM SJ TOTO JL KIRTMAN B
Citation: M. Hasan et al., AB-INITIO FINITE OLIGOMER METHOD FOR NONLINEAR-OPTICAL PROPERTIES OF CONJUGATED POLYMERS - NONRESONANT FREQUENCY DISPERSION IN POLYACETYLENE, The Journal of chemical physics, 105(1), 1996, pp. 186-191
HARTREE-FOCK STATIC LONGITUDINAL (HYPER)POLARIZABILITY OF POLYYNE
Authors: TOTO JL TOTO TT DEMELO CP KIRTMAN B ROBINS K
Citation: Jl. Toto et al., HARTREE-FOCK STATIC LONGITUDINAL (HYPER)POLARIZABILITY OF POLYYNE, The Journal of chemical physics, 104(21), 1996, pp. 8586-8592
ROLE OF COLLECTIVE MODES IN VIBRATIONAL POLARIZABILITIES AND HYPERPOLARIZABILITIES OF POLYACETYLENE AND OTHER QUASI-LINEAR POLYMERS
Authors: KIRTMAN B CHAMPAGNE B ANDRE JM
Citation: B. Kirtman et al., ROLE OF COLLECTIVE MODES IN VIBRATIONAL POLARIZABILITIES AND HYPERPOLARIZABILITIES OF POLYACETYLENE AND OTHER QUASI-LINEAR POLYMERS, The Journal of chemical physics, 104(11), 1996, pp. 4125-4136
LOCAL QUANTUM-CHEMISTRY - INCORPORATION OF PSEUDOSPECTRAL METHODOLOGYINTO THE LOCAL SPACE APPROXIMATION
Authors: KIRTMAN B SEKINO H
Citation: B. Kirtman et H. Sekino, LOCAL QUANTUM-CHEMISTRY - INCORPORATION OF PSEUDOSPECTRAL METHODOLOGYINTO THE LOCAL SPACE APPROXIMATION, Chemical physics letters, 263(1-2), 1996, pp. 313-316
STATIC VIBRATIONAL POLARIZABILITY OF ALL-TRANS POLYETHYLENE AND POLYSILANE
Authors: CHAMPAGNE B PERPETE E ANDRE JM KIRTMAN B
Citation: B. Champagne et al., STATIC VIBRATIONAL POLARIZABILITY OF ALL-TRANS POLYETHYLENE AND POLYSILANE, Journal of the Chemical Society. Faraday transactions, 91(11), 1995, pp. 1641-1646
SEASONAL SURROGATE FOR CLIMATE
Authors: LINDZEN RS KIRTMAN B KIRKDAVIDOFF D SCHNEIDER EK
Citation: Rs. Lindzen et al., SEASONAL SURROGATE FOR CLIMATE, Journal of climate, 8(6), 1995, pp. 1681-1684
AB-INITIO NONLINEAR-OPTICAL PROPERTIES OF POLYACETYLENE FROM FINITE OLIGOMER CALCULATIONS
Authors: ROBINS KA KIM SJ TOTO JL HASAN M TOTO TT DEMELO CP KIRTMAN B
Citation: Ka. Robins et al., AB-INITIO NONLINEAR-OPTICAL PROPERTIES OF POLYACETYLENE FROM FINITE OLIGOMER CALCULATIONS, Synthetic metals, 71(1-3), 1995, pp. 1671-1674
ALTERNATIVE ELECTROSTATIC POTENTIAL FORMALISM FOR THE POLARIZABILITIES OF LONG FINITE CHAINS OF CONJUGATED POLYMERS
Authors: FONSECA TL DEMELO CP KIRTMAN B
Citation: Tl. Fonseca et al., ALTERNATIVE ELECTROSTATIC POTENTIAL FORMALISM FOR THE POLARIZABILITIES OF LONG FINITE CHAINS OF CONJUGATED POLYMERS, Synthetic metals, 71(1-3), 1995, pp. 1695-1696
OSCILLATIONS IN THE ENERGY OF ADSORPTION ON METALS FOR FINITE CLUSTER-MODELS OF VARYING SIZE
Authors: MATOS M KIRTMAN B
Citation: M. Matos et B. Kirtman, OSCILLATIONS IN THE ENERGY OF ADSORPTION ON METALS FOR FINITE CLUSTER-MODELS OF VARYING SIZE, Surface science, 341(1-2), 1995, pp. 162-171
THE SEASONAL CYCLE OVER THE TROPICAL PACIFIC IN COUPLED OCEAN-ATMOSPHERE GENERAL-CIRCULATION MODELS
Authors: MECHOSO CR ROBERTSON AW BARTH N DAVEY MK DELECLUSE P GENT PR INESON S KIRTMAN B LATIF M LETREUT H NAGAI T NEELIN JD PHILANDER SGH POLCHER J SCHOPF PS STOCKDALE T SUAREZ MJ TERRAY L THUAL O TRIBBIA JJ
Citation: Cr. Mechoso et al., THE SEASONAL CYCLE OVER THE TROPICAL PACIFIC IN COUPLED OCEAN-ATMOSPHERE GENERAL-CIRCULATION MODELS, Monthly weather review, 123(9), 1995, pp. 2825-2838
A SIMPLE METHOD FOR DETERMINING APPROXIMATE STATIC AND DYNAMIC VIBRATIONAL HYPERPOLARIZABILITIES
Authors: BISHOP DM HASAN M KIRTMAN B
Citation: Dm. Bishop et al., A SIMPLE METHOD FOR DETERMINING APPROXIMATE STATIC AND DYNAMIC VIBRATIONAL HYPERPOLARIZABILITIES, The Journal of chemical physics, 103(10), 1995, pp. 4157-4159
Risultati: 1-25 | 26-35