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Results: 1-25/52
Authors:
Guillaume, M
Champagne, B
Perpete, EA
Andre, JM
Citation: M. Guillaume et al., Mobius strip versus Linear and cyclic polyacenes: a Huckel and semiempirical investigation, THEOR CH AC, 105(6), 2001, pp. 431-436
Authors:
Castet, F
Champagne, B
Citation: F. Castet et B. Champagne, Simple scheme to evaluate crystal nonlinear susceptibilities: Semiempirical AM1 model investigation of 3-methyl-4-nitroaniline crystal, J PHYS CH A, 105(8), 2001, pp. 1366-1370
Authors:
Jacquemin, D
Champagne, B
Perpete, EA
Luis, JM
Kirtman, B
Citation: D. Jacquemin et al., Second-order ab initio Moller-Plesset study of optimum chain length for total (electronic plus vibrational) beta(-omega(sigma);omega(1),omega(2)) prototype push-pull polyene, J PHYS CH A, 105(42), 2001, pp. 9748-9755
Authors:
Chandross, KJ
Champagne, B
Auble, K
Hudson, LD
Citation: Kj. Chandross et al., Tracking oligodendrocytes during development and regeneration, MICROSC RES, 52(6), 2001, pp. 766-777
Authors:
Quinet, O
Champagne, B
Kirtman, B
Citation: O. Quinet et al., Analytical TDHF second derivatives of dynamic electronic polarizability with respect to nuclear coordinates. Application to the dynamic ZPVA correction, J COMPUT CH, 22(16), 2001, pp. 1920-1932
Authors:
Quinet, O
Champagne, B
Citation: O. Quinet et B. Champagne, Time-dependent Hartree-Fock schemes for analytical evaluation of the Ramanintensities, J CHEM PHYS, 115(14), 2001, pp. 6293-6299
Analysis of the sign reversal of the second-order molecular polarizabilityin polymethineimine chains
Authors:
Jacquemin, D
Beljonne, D
Champagne, B
Geskin, V
Bredas, JL
Andre, JM
Citation: D. Jacquemin et al., Analysis of the sign reversal of the second-order molecular polarizabilityin polymethineimine chains, J CHEM PHYS, 115(14), 2001, pp. 6766-6774
Authors:
Poulsen, TD
Mikkelsen, KV
Fripiat, JG
Jacquemin, D
Champagne, B
Citation: Td. Poulsen et al., MP2 correlation effects upon the electronic and vibrational properties of polyyne, J CHEM PHYS, 114(13), 2001, pp. 5917-5922
Authors:
Quinet, O
Champagne, B
Citation: O. Quinet et B. Champagne, Sum-frequency generation first hyperpolarizability from time-dependent Hartree-Fock method, INT J QUANT, 85(4-5), 2001, pp. 463-468
Authors:
Jacquemin, D
Champagne, B
Citation: D. Jacquemin et B. Champagne, Long-range effects in optimizing the geometry of stereoregular polymers - IV: Explicit determination of the helical angle, INT J QUANT, 85(4-5), 2001, pp. 539-545
Authors:
Andre, JM
Champagne, B
Perpete, EA
Guillaume, M
Citation: Jm. Andre et al., Linear, cyclic, and mobius strip polyacenes: The influence of the topologyon the size-dependent HOMO-LUMO energy gap, INT J QUANT, 84(6), 2001, pp. 607-616
Authors:
Perpete, EA
Quinet, O
Champagne, B
Citation: Ea. Perpete et al., Vibrational second hyperpolarizability of symmetrically substituted 'quadrupolar' pi-conjugated systems, J OPT A-P A, 2(4), 2000, pp. 247-254
Authors:
Champagne, B
Perpete, EA
Jacquemin, D
van Gisbergen, SJA
Baerends, EJ
Soubra-Ghaoui, C
Robins, KA
Kirtman, B
Citation: B. Champagne et al., Assessment of conventional density functional schemes for computing the dipole moment and (hyper)polarizabilities of push-pull pi-conjugated systems, J PHYS CH A, 104(20), 2000, pp. 4755-4763
Authors:
Champagne, B
Citation: B. Champagne, On the asymptotic convergence and numerical stability of the Proteus EVD trackers, IEEE SIGNAL, 48(1), 2000, pp. 242-246
Authors:
Caron, F
Champagne, B
Liu, QG
Citation: F. Caron et al., On the use of the FNTF algorithm in subband acoustic echo cancellation, CAN J EL C, 25(3), 2000, pp. 121-129
Authors:
Kirtman, B
Champagne, B
Luis, JM
Citation: B. Kirtman et al., Efficient treatment of the effect of vibrations on electrical, magnetic, and spectroscopic properties, J COMPUT CH, 21(16), 2000, pp. 1572-1588
Authors:
Perpete, EA
Champagne, B
Jacquemin, D
Citation: Ea. Perpete et al., Electronic and vibrational first hyperpolarizabilities of polymethineimineoligomers, J MOL ST-TH, 529, 2000, pp. 65-71
Authors:
Spassova, M
Kolev, T
Kanev, I
Jacquemin, D
Champagne, B
Citation: M. Spassova et al., Structure and nonlinear electrical properties of squaric acid derivatives:a theoretical study of the conformation and deprotonation effects, J MOL ST-TH, 528, 2000, pp. 151-159
Authors:
Liu, QG
Champagne, B
Ho, DKC
Citation: Qg. Liu et al., Simple design of oversampled uniform DFT filter banks with applications tosubband acoustic echo cancellation, SIGNAL PROC, 80(5), 2000, pp. 831-847
Authors:
Perpete, EA
Champagne, B
Kirtman, B
Citation: Ea. Perpete et al., Large vibrational nonlinear optical properties of C-60: A combined Hartree-Fock/density-functional approach, PHYS REV B, 61(19), 2000, pp. 13137-13143
Authors:
Fischer, P
Wiersma, DS
Righini, R
Champagne, B
Buckingham, AD
Citation: P. Fischer et al., Three-wave mixing in chiral liquids, PHYS REV L, 85(20), 2000, pp. 4253-4256
Authors:
Poulsen, TD
Mikkelsen, KV
Fripiat, JG
Champagne, B
Citation: Td. Poulsen et al., Unrestricted Hartree-Fock band structure calculations for polymers: Application to a cross-talk system, J CHEM PHYS, 113(14), 2000, pp. 5958-5964
Authors:
Luis, JM
Duran, M
Champagne, B
Kirtman, B
Citation: Jm. Luis et al., Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates, J CHEM PHYS, 113(13), 2000, pp. 5203-5213
Authors:
Jacquemin, D
Champagne, B
Citation: D. Jacquemin et B. Champagne, Comment on "Calculation of ab initio dynamic hyperpolarizabilities of polymers" [J-Chem. Phys. 110, 2717 (1999)], J CHEM PHYS, 112(3), 2000, pp. 1616-1617
Authors:
Champagne, B
Luis, JM
Duran, M
Andres, JL
Kirtman, B
Citation: B. Champagne et al., Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers, J CHEM PHYS, 112(2), 2000, pp. 1011-1019