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Results: 1-19 |
Results: 19

Authors: Reis, H Raptis, SG Papadopoulos, MG
Citation: H. Reis et al., Comparison of the non-linear optical properties of a dimethylaminostilbenederivative containing a molybdenum mononitrosyl redox centre and of p,p '-dimethylaminonitrostilbene, calculated by ab-initio methods, PHYS CHEM P, 3(18), 2001, pp. 3901-3905

Authors: Reis, H Raptis, SG Papadopoulos, MG
Citation: H. Reis et al., Electrostatic calculation of linear and non-linear optical properties of ice Ih, II, IX and VIII, CHEM PHYS, 263(2-3), 2001, pp. 301-316

Authors: Eckart, U Ingamells, VE Papadopoulos, MG Sadlej, AJ
Citation: U. Eckart et al., Vibrational effects on electric properties of cyclopropenone and cyclopropenethione, J CHEM PHYS, 114(2), 2001, pp. 735-745

Authors: Reis, H Papadopoulos, MG Theodorou, DN
Citation: H. Reis et al., Calculation of refractive indices and third-harmonic generation susceptibilities of liquid benzene and water: Comparison of continuum and discrete local-field theories, J CHEM PHYS, 114(2), 2001, pp. 876-881

Authors: Avramopoulos, A Ingamells, VE Papadopoulos, MG Sadlej, AJ
Citation: A. Avramopoulos et al., Vibrational corrections to electric properties of relativistic molecules: The coinage metal hydrides, J CHEM PHYS, 114(1), 2001, pp. 198-210

Authors: Raptis, SG Papadopoulos, MG Sadlej, AJ
Citation: Sg. Raptis et al., Hexalithiobenzene: A molecule with exceptionally high second hyperpolarizability, PHYS CHEM P, 2(15), 2000, pp. 3393-3399

Authors: Reis, H Papadopoulos, MG Calaminici, P Jug, K Koster, AM
Citation: H. Reis et al., Calculation of macroscopic linear and nonlinear optical susceptibilities for the naphthalene, anthracene and meta-nitroaniline crystals, CHEM PHYS, 261(3), 2000, pp. 359-371

Authors: Ingamells, VE Papadopoulos, MG Sadlej, AJ
Citation: Ve. Ingamells et al., Vibrational corrections to linear and nonlinear static electric propertiesof polyatomic molecules at non-optimum reference geometry, CHEM PHYS, 260(1-2), 2000, pp. 1-10

Authors: Ingamells, VE Papadopoulos, MG Sadlej, AJ
Citation: Ve. Ingamells et al., Vibrational corrections to properties at arbitrary reference geometry, J CHEM PHYS, 112(4), 2000, pp. 1645-1654

Authors: Reis, H Papadopoulos, MG Hattig, C Angyan, JG Munn, RW
Citation: H. Reis et al., Distributed first and second order hyperpolarizabilities: An improved calculation of nonlinear optical susceptibilities of molecular crystals, J CHEM PHYS, 112(14), 2000, pp. 6161-6172

Authors: Calaminici, P Jug, K Koster, AM Ingamells, VE Papadopoulos, MG
Citation: P. Calaminici et al., Polarizabilities of azabenzenes, J CHEM PHYS, 112(14), 2000, pp. 6301-6308

Authors: Reis, H Papadopoulos, MG Boustani, I
Citation: H. Reis et al., DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters B-n (n=3-8, 10), INT J QUANT, 78(2), 2000, pp. 131-135

Authors: Ingamells, VE Papadopoulos, MG Sadlej, AJ
Citation: Ve. Ingamells et al., Vibrational corrections to static electric properties of diatomics by Numerov-Cooley integration, CHEM P LETT, 316(5-6), 2000, pp. 541-550

Authors: Reis, H Papadopoulos, MG
Citation: H. Reis et Mg. Papadopoulos, Nonlinear optical properties of the rhombic B-4-cluster, J COMPUT CH, 20(7), 1999, pp. 679-687

Authors: Janssen, RHC Theodorou, DN Raptis, S Papadopoulos, MG
Citation: Rhc. Janssen et al., Molecular simulation of static hyper-Rayleigh scattering: A calculation ofthe depolarization ratio and the local fields for liquid nitrobenzene, J CHEM PHYS, 111(21), 1999, pp. 9711-9719

Authors: Raptis, SG Papadopoulos, MG Sadlej, AJ
Citation: Sg. Raptis et al., The correlation, relativistic, and vibrational contributions to the dipolemoments, polarizabilities, and first and second hyperpolarizabilities of ZnS, CdS, and HgS, J CHEM PHYS, 111(17), 1999, pp. 7904-7915

Authors: Janssen, RHC Bomont, JM Theodorou, DN Raptis, S Papadopoulos, MG
Citation: Rhc. Janssen et al., Computer simulation of the linear and nonlinear optical properties of liquid benzene: Its local fields, refractive index, and second nonlinear susceptibility, J CHEM PHYS, 110(13), 1999, pp. 6463-6474

Authors: Theologitis, M Screttas, GC Raptis, SG Papadopoulos, MG
Citation: M. Theologitis et al., The polarizability and the second hyperpolarizability of tetrakis(phenylethynyl)ethene and several of its lithiated derivatives, INT J QUANT, 72(3), 1999, pp. 177-187

Authors: Ingamells, VE Papadopoulos, MG Raptis, SG
Citation: Ve. Ingamells et al., Vibrational effects on the polarizability and second hyperpolarizability of ethylene, CHEM P LETT, 307(5-6), 1999, pp. 484-492
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