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Results:
1-15
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Results: 15
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
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:
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:
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:
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:
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:
Jacquemin, D
Champagne, B
Citation: D. Jacquemin et B. Champagne, Optimizing the geometry of stereoregular polymers. III. Polyyne and the basis set quasi-linear dependence, INT J QUANT, 80(4-5), 2000, pp. 863-870
Authors:
Jacquemin, D
Champagne, B
Hattig, C
Citation: D. Jacquemin et al., Correlated frequency-dependent electronic first hyperpolarizability of small push-pull conjugated chains, CHEM P LETT, 319(3-4), 2000, pp. 327-334
Authors:
Rasson, JP
Jacquemin, D
Bertholet, V
Citation: Jp. Rasson et al., A new geometrical hypothesis for partitioning and discriminant analysis, ST CLASS D, 2000, pp. 313-324
Authors:
Schils, F
Deprez, AF
Creemers, E
Jacquemin, D
Limet, R
Citation: F. Schils et al., Rupture of a thoracic aneurysm in the left bronchus, ACT CHIR B, 100(2), 2000, pp. 74-76
Authors:
Jacquemin, D
Champagne, B
Andre, JM
Citation: D. Jacquemin et al., Asymmetric unit cell polymers with large first hyperpolarizabilities, SYNTH METAL, 101(1-3), 1999, pp. 490-491
Authors:
Jacquemin, D
Andre, JM
Champagne, B
Citation: D. Jacquemin et al., Long-range effects in optimizing the geometry of stereoregular polymers. I. Formalism, J CHEM PHYS, 111(12), 1999, pp. 5306-5323
Authors:
Jacquemin, D
Andre, JM
Champagne, B
Citation: D. Jacquemin et al., Long-range effects in optimizing the geometry of stereoregular polymers. II. Hydrogen fluoride chains as a working example, J CHEM PHYS, 111(12), 1999, pp. 5324-5330
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