Theoretical investigation of the static (dynamic) polarizability and second hyperpolarizability of DAAD quadrupolar push–pull molecules. A comparison among HF (TD-HF), DFT (TD … E Marcano, E Squitieri, J Murgich, H Soscún Computational and Theoretical Chemistry 985, 72-79, 2012 | 29 | 2012 |
The effect of intramolecular coupling on the optical susceptibilities of a two-level molecule JL Paz, M García-Sucre, E Squitieri, V Mujica Chemical physics letters 217 (3), 333-341, 1994 | 27 | 1994 |
Absorptive and dispersive processes in a two-level molecule with intramolecular coupling and non-zero permanent dipole moment M García-Sucre, E Squitieri, JL Paz, V Mujica Journal of Physics B: Atomic, Molecular and Optical Physics 27 (20), 4945, 1994 | 22 | 1994 |
Organic Monolayers as Mimics of Liquid/Liquid Interfaces: Molecular Dynamics Study of Electronic Spectra and Solvent Dynamics E Squitieri, I Benjamin The Journal of Physical Chemistry B 105 (27), 6412-6419, 2001 | 16 | 2001 |
Refractive index in a dilute solution of molecules with intramolecular coupling up to third order in the external field E Squitieri, M García-Sucre, JL Paz, V Mujica Molecular Physics 82 (1), 227-234, 1994 | 15 | 1994 |
Crotofolane Diterpenoids from Croton caracasanus K Chávez, RS Compagnone, R Riina, A Briceño, T González, E Squitieri, ... Natural Product Communications 8 (12), 1934578X1300801205, 2013 | 13 | 2013 |
Theoretical investigation of the static (hyper) polarizabilities and reorganization energy of 4, 5-dicyanoimidazole chromophore and derivatives containing benzene rings and a … E Marcano, E Squitieri, J Murgich, H Soscún Computational and Theoretical Chemistry 1057, 60-66, 2015 | 11 | 2015 |
A computational study of the stability ratios of spherical coloidal particles E Squitieri, V Mujica Journal of Molecular Structure: THEOCHEM 769 (1-3), 165-170, 2006 | 11 | 2006 |
Stationary conditions of the electron density along the reaction path: connection with conceptual dft and information theory CA Gonzalez, E Squitieri, HJ Franco, LC Rincon The Journal of Physical Chemistry A 121 (3), 648-660, 2017 | 9 | 2017 |
Contributions of anharmonics to the nuclear relaxation second hyperpolarizability of a push–pull polyene E Squitieri Journal of physical organic chemistry 17 (2), 131-137, 2004 | 9 | 2004 |
Simultaneous stochastic effects of a thermal reservoir and an electromagnetic field on the optical susceptibility of a two-level system PJ Colmenares, JL Paz, R Almeida, E Squitieri Journal of Molecular Structure: THEOCHEM 390 (1-3), 33-38, 1997 | 7 | 1997 |
Effect of heterosubstituent and ring puckering angle on linear and nonlinear properties of exo-insaturated four-membered heterocycles, Y= CCH2CH2X: a comparative ab initio, DFT … AH Romero, E Squitieri Molecular Physics 114 (15), 2232-2247, 2016 | 6 | 2016 |
Simple parameter-dependent relations for the maximum value of the optical activity of push—pull molecules in solution E Squitieri, JL Paz, AJ Hernandez Molecular Physics 101 (14), 2279-2284, 2003 | 6 | 2003 |
Potential use of small basis set on the calculations of electronic properties of some four-membered heterocycles: a conformational study AH Romero, E Squitieri Molecular Physics 115 (3), 261-277, 2017 | 5 | 2017 |
Conformational dependence of the second hyperpolarizability of quadrupolar molecules E Marcano, E Squitieri, J Murgich, H Soscún Journal of Molecular Structure: THEOCHEM 911 (1-3), 81-87, 2009 | 4 | 2009 |
A general algorithm using Mathematica 2.0 for calculting dlvo potential interactions and stability ratios in spherical colloidal particle systems JA Guaregua M, E Squitieri, V Mujica Journal of Computational Methods in Science and Engineering 9 (4-6), 223-240, 2009 | 4 | 2009 |
Generalized virial partitions and the one-particle density matrix V Mujica, E Squitieri, P Nieto Journal of Molecular Structure: THEOCHEM 501, 115-123, 2000 | 4 | 2000 |
Intramolecular coupling effect in the refractive index for a simple three‐level model of molecules diluted in water M Garcia‐Sucre, JL Paz, E Squitieri, V Mujica International Journal of Quantum Chemistry 48 (S27), 699-711, 1993 | 4 | 1993 |
Solvent effects on the static nuclear relaxation and the curvature hyperpolarizabilities of push-pull polyenes E Squitieri, CM Landaeta H Molecular Physics 106 (11), 1341-1352, 2008 | 3 | 2008 |
Anharmonic contribution to the static vibrational second hyperpolarizability of linear quadrupolar molecules within the framework VB-2CT and AEEP E Squitieri, I Benjamin Chemical physics 326 (2-3), 363-370, 2006 | 3 | 2006 |