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Emilio Squitieri
Emilio Squitieri
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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
292012
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
271994
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
221994
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
162001
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
151994
Crotofolane Diterpenoids from Croton caracasanus
K Chávez, RS Compagnone, R Riina, A Briceño, T González, E Squitieri, ...
Natural Product Communications 8 (12), 1934578X1300801205, 2013
132013
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
112015
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
112006
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
92017
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
92004
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
71997
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
62016
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
62003
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
52017
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
42009
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
42009
Generalized virial partitions and the one-particle density matrix
V Mujica, E Squitieri, P Nieto
Journal of Molecular Structure: THEOCHEM 501, 115-123, 2000
42000
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
41993
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
32008
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
32006
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