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Results: 1-13 |
Results: 13
AB-INITIO DETERMINATION OF THE VIBRATIONAL AND ELECTRONIC FIRST-HYPERPOLARIZABILITIES OF REFERENCE COMPOUNDS FOR NONLINEAR-OPTICAL (NLO) APPLICATIONS - 3-METHYL-4-NITROPYRIDINE-1-OXIDE (POM) AND N-(4-NITROPHENYL)-(L)-PROLINOL (NPP)
Authors: CHAMPAGNE B PERPETE EA LEGRAND T JACQUEMIN D ANDRE JM
Citation: B. Champagne et al., AB-INITIO DETERMINATION OF THE VIBRATIONAL AND ELECTRONIC FIRST-HYPERPOLARIZABILITIES OF REFERENCE COMPOUNDS FOR NONLINEAR-OPTICAL (NLO) APPLICATIONS - 3-METHYL-4-NITROPYRIDINE-1-OXIDE (POM) AND N-(4-NITROPHENYL)-(L)-PROLINOL (NPP), Journal of the Chemical Society. Faraday transactions, 94(11), 1998, pp. 1547-1553
VIBRATIONAL FREQUENCIES OF H2O AND CO2 FROM CAR-PARRINELLO MOLECULAR-DYNAMICS
Authors: WATHELET V CHAMPAGNE B MOSLEY DH PERPETE EA ANDRE JM
Citation: V. Wathelet et al., VIBRATIONAL FREQUENCIES OF H2O AND CO2 FROM CAR-PARRINELLO MOLECULAR-DYNAMICS, Journal of molecular structure. Theochem, 425(1-2), 1998, pp. 95-100
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
VIBRATIONAL AND ELECTRONIC 2ND HYPERPOLARIZABILITIES OF ALL-TRANS POLYSILANE CHAINS
Authors: PERPETE EA ANDRE JM CHAMPAGNE B
Citation: Ea. Perpete et al., VIBRATIONAL AND ELECTRONIC 2ND HYPERPOLARIZABILITIES OF ALL-TRANS POLYSILANE CHAINS, The Journal of chemical physics, 109(11), 1998, pp. 4624-4637
NONRESONANT FREQUENCY DISPERSION OF THE ELECTRONIC 2ND HYPERPOLARIZABILITY OF ALL-TRANS POLYSILANE CHAINS - AN AB-INITIO TDHF OLIGOMERIC APPROACH
Authors: CHAMPAGNE B PERPETE EA ANDRE JM
Citation: B. Champagne et al., NONRESONANT FREQUENCY DISPERSION OF THE ELECTRONIC 2ND HYPERPOLARIZABILITY OF ALL-TRANS POLYSILANE CHAINS - AN AB-INITIO TDHF OLIGOMERIC APPROACH, International journal of quantum chemistry, 70(4-5), 1998, pp. 751-761
AB-INITIO HARTREE-FOCK INVESTIGATION OF PI-CONJUGATED COMPOUNDS PRESENTING LARGE BETA(V) BETA(E) RATIO - MEROCYANINES/
Authors: CHAMPAGNE B LEGRAND T PERPETE EA QUINET O ANDRE JM
Citation: B. Champagne et al., AB-INITIO HARTREE-FOCK INVESTIGATION OF PI-CONJUGATED COMPOUNDS PRESENTING LARGE BETA(V) BETA(E) RATIO - MEROCYANINES/, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1295-1308
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
STATIC ELECTRONIC AND VIBRATIONAL POLARIZABILITIES OF POLY(DIMETHYLSILANE) CHAINS
Authors: CHAMPAGNE B PERPETE EA ANDRE JM
Citation: B. Champagne et al., STATIC ELECTRONIC AND VIBRATIONAL POLARIZABILITIES OF POLY(DIMETHYLSILANE) CHAINS, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 67-73
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
QUANTUM-CHEMICAL EVALUATION OF THE KNEE ANGLE IN THE (5,5)-(9,0) COILED CARBON TUBULE
Authors: FONSECA A PERPETE EA GALET P CHAMPAGNE B NAGY JB ANDRE JM LAMBIN P LUCAS AA
Citation: A. Fonseca et al., QUANTUM-CHEMICAL EVALUATION OF THE KNEE ANGLE IN THE (5,5)-(9,0) COILED CARBON TUBULE, Journal of physics. B, Atomic molecular and optical physics, 29(21), 1996, pp. 4915-4924
CURVATURE VERSUS NUCLEAR-RELAXATION CONTRIBUTIONS TO THE STATIC VIBRATIONAL POLARIZABILITY OF POLYACETYLENE CHAINS
Authors: CHAMPAGNE B VANDERHOEVEN H PERPETE EA ANDRE JM
Citation: B. Champagne et al., CURVATURE VERSUS NUCLEAR-RELAXATION CONTRIBUTIONS TO THE STATIC VIBRATIONAL POLARIZABILITY OF POLYACETYLENE CHAINS, Chemical physics letters, 248(5-6), 1996, pp. 301-308
ELECTRONIC AND VIBRATIONAL POLARIZABILITIES OF BUCKMINSTERFULLERENE
Authors: PERPETE EA ANDRE JM CHAMPAGNE B SENET P LAMBIN P LUCAS AA
Citation: Ea. Perpete et al., ELECTRONIC AND VIBRATIONAL POLARIZABILITIES OF BUCKMINSTERFULLERENE, Bulletin des Societes chimiques belges, 103(4), 1994, pp. 135-141
VIBRATIONAL POLARIZABILITY OF POLYACETYLENE CHAINS
Authors: CHAMPAGNE B PERPETE EA ANDRE JM
Citation: B. Champagne et al., VIBRATIONAL POLARIZABILITY OF POLYACETYLENE CHAINS, The Journal of chemical physics, 101(12), 1994, pp. 10796-10807
Risultati: 1-13 |