Linear and nonlinear optical properties of [60] fullerene derivatives O Loboda, R Zalesny, A Avramopoulos, JM Luis, B Kirtman, ...
The Journal of Physical Chemistry A 113 (6), 1159-1170, 2009
115 2009 Problems in the comparison of theoretical and experimental hyperpolarizabilities revisited H Reis
The Journal of chemical physics 125 (1), 2006
115 2006 The dipole moment, polarizabilities, and first hyperpolarizabilities of HArF. A computational and comparative study A Avramopoulos, H Reis, J Li, MG Papadopoulos
Journal of the American Chemical Society 126 (19), 6179-6184, 2004
115 2004 Calculation of macroscopic first-, second-, and third-order optical susceptibilities for the urea crystal H Reis, MG Papadopoulos, RW Munn
The Journal of chemical physics 109 (16), 6828-6838, 1998
103 1998 Calculation of macroscopic linear and nonlinear optical susceptibilities for the naphthalene, anthracene and meta-nitroaniline crystals H Reis, MG Papadopoulos, P Calaminici, K Jug, AM Köster
Chemical Physics 261 (3), 359-371, 2000
102 2000 Molecular dynamics simulations of electric field poled nonlinear optical chromophores incorporated in a polymer matrix M Makowska-Janusik, H Reis, MG Papadopoulos, IG Economou, ...
The Journal of Physical Chemistry B 108 (2), 588-596, 2004
69 2004 Distributed first and second order hyperpolarizabilities: An improved calculation of nonlinear optical susceptibilities of molecular crystals H Reis, MG Papadopoulos, C Hättig, JG Ángyán, RW Munn
The Journal of Chemical Physics 112 (14), 6161-6172, 2000
59 2000 Ground and excited state dipole moments of coumarin laser dyes: Investigation by electro-optical absorption and emission methods NA Nemkovich, H Reis, W Baumann
Journal of luminescence 71 (4), 255-263, 1997
55 1997 Theoretical Investigation of the (Hyper)polarizabilities of Pyrrole Homologues C4 H4 XH (X = N, P, As, Sb, Bi). A Coupled-Cluster and Density Functional Theory Study A Alparone, H Reis, MG Papadopoulos
The Journal of Physical Chemistry A 110 (17), 5909-5918, 2006
49 2006 Performance of density functional theory in computing nonresonant vibrational (hyper) polarizabilities IW Bulik, R Zaleśny, W Bartkowiak, JM Luis, B Kirtman, GE Scuseria, ...
Journal of Computational Chemistry 34 (20), 1775-1784, 2013
47 2013 Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in JM Luis, H Reis, M Papadopoulos, B Kirtman
The Journal of chemical physics 131 (3), 034116, 2009
44 2009 Comparative biophysical studies of sartan class drug molecules losartan and candesartan (CV-11974) with membrane bilayers C Fotakis, D Christodouleas, P Zoumpoulakis, E Kritsi, NP Benetis, ...
The Journal of Physical Chemistry B 115 (19), 6180-6192, 2011
42 2011 Electric field polarization in conventional density functional theory: From quasilinear to two-dimensional and three-dimensional extended systems B Kirtman, V Lacivita, R Dovesi, H Reis
The Journal of chemical physics 135 (15), 2011
41 2011 Nonlinear optical susceptibilities of poled guest− host systems: a computational approach H Reis, M Makowska-Janusika, MG Papadopoulos
The Journal of Physical Chemistry B 108 (26), 8931-8940, 2004
39 2004 Computational studies of darunavir into HIV-1 protease and DMPC bilayer: necessary conditions for effective binding and the role of the flaps G Leonis, Z Czyznikowska, G Megariotis, H Reis, MG Papadopoulos
Journal of chemical information and modeling 52 (6), 1542-1558, 2012
38 2012 DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters Bn (n =3–8,10) H Reis, MG Papadopoulos, I Boustani
International Journal of Quantum Chemistry 78 (2), 131-135, 2000
38 2000 Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C28 B Skwara, RW Góra, R Zalesny, P Lipkowski, W Bartkowiak, H Reis, ...
The Journal of Physical Chemistry A 115 (37), 10370-10381, 2011
36 2011 Computer Simulation of the Linear and Nonlinear Optical Susceptibilities of p -Nitroaniline in Cyclohexane, 1,4-Dioxane, and Tetrahydrofuran in Quadrupolar … H Reis, A Grzybowski, MG Papadopoulos
The Journal of Physical Chemistry A 109 (44), 10106-10120, 2005
36 2005 Calculation of macroscopic first-and third-order optical susceptibilities for the benzene crystal H Reis, S Raptis, MG Papadopoulos, RHC Janssen, DN Theodorou, ...
Theoretical Chemistry Accounts 99, 384-390, 1998
36 1998 Novel 17β-Substituted Conformationally Constrained Neurosteroids that Modulate GABAA Receptors C Souli, N Avlonitis, T Calogeropoulou, A Tsotinis, G Maksay, T Bíró, ...
Journal of medicinal chemistry 48 (16), 5203-5214, 2005
34 2005