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:
Detsi, A
Gavrielatos, E
Adam, MA
Igglessi-Markopoulou, O
Markopoulos, J
Theologitis, M
Reis, H
Papadopoulos, M
Citation: A. Detsi et al., Synthesis of N-Urethane-protected gamma-amino-functionalized butenoates and tautomeric studies by means of NMR, X-ray crystallography and ab initio calculations, EUR J ORG C, (22), 2001, pp. 4337-4342
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
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:
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:
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
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:
Wortmann, R
Lebus, S
Reis, H
Grabowska, A
Kownacki, K
Jarosz, S
Citation: R. Wortmann et al., Spectral and electrooptical absorption and emission studies on internally hydrogen bonded benzoxazole 'double' derivatives: 2,5-bis(benzoxazolyl)hydroquinone (BBHQ) and 3,6-bis(benzoxazolyl)pyrocatechol (BBPC). Single versusdouble proton transfer in the excited BBPC revisited, CHEM PHYS, 243(3), 1999, pp. 295-304