Emilio Squitieri: search on Z-Library

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1

Solvent effects on the static nuclear relaxation and the curvature hyperpolarizabilities of push-pull polyenes

Squitieri, Emilio, Landaeta H., Carlos M.

Journal:

Molecular Physics

Year:

2008

Language:

english

File:

PDF, 1001 KB

english, 2008

2

Theoretical investigation of the static (dynamic) polarizability and second hyperpolarizability of DAAD quadrupolar push–pull molecules. A comparison among HF (TD-HF), DFT (TD-B3LYP), and MP2 (TD-MP2) methods

Emildo Marcano, Emilio Squitieri, Juan Murgich, Humberto Soscún

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 490 KB

english, 2012

3

Effect of heterosubstituent and ring puckering angle on linear and nonlinear properties of exo-insaturated four-membered heterocycles, Y=CCH 2 CH 2 X: a comparative ab initio , DFT and semi-empirical study

Romero, Angel H., Squitieri, Emilio

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 1.42 MB

english, 2016

4

Simple parameter-dependent relations for the maximum value of the optical activity of push—pull molecules in solution

SQUITIERI, EMILIO, PAZ, J. L., HERNÁNDEZ, A. J.

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 482 KB

english, 2003

5

Conformational dependence of the second hyperpolarizability of quadrupolar molecules

Emildo Marcano, Emilio Squitieri, Juan Murgich, Humberto Soscún

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 375 KB

english, 2009

6

Theoretical investigation of the static (hyper)polarizabilities and reorganization energy of 4,5-dicyanoimidazole chromophore and derivatives containing benzene rings and a saturated bridge

Marcano, Emildo, Squitieri, Emilio, Murgich, Juan, Soscún, Humberto

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 666 KB

english, 2015

7

Anharmonic contributions to the nuclear relaxation first hyperpolarizability for push–pull molecules

Emilio Squitieri

Journal:

Journal of Physical Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 94 KB

english, 2003

8

Contributions of anharmonics to the nuclear relaxation second hyperpolarizability of a push–pull polyene

Emilio Squitieri

Journal:

Journal of Physical Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 114 KB

english, 2004

9

Stationary Conditions of the Electron Density Along the Reaction Path: Connection with Conceptual DFT and Information Theory

Gonzalez, Carlos A., Squitieri, Emilio, Franco, Hector J., Rincon, Luis C.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 2.77 MB

english, 2017

10

Crotofolane Diterpenoids from Croton caracasanus

Chávez, Katiuska, Compagnone, Reinaldo S., Riina, Ricarda, Briceño, Alexander, González, Teresa, Squitieri, Emilio, Landaeta, Carlos, Soscún, Humberto, Suárez, Alírica I.

Journal:

Natural Product Communications

Year:

2013

File:

PDF, 346 KB

2013

11

Anharmonic contribution to the static vibrational second hyperpolarizability of linear quadrupolar molecules within the framework VB-2CT and AEEP

Emilio Squitieri, Ilan Benjamin

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 203 KB

english, 2006

12

Crotofolane Diterpenoids from Croton caracasanus

Chávez, Katiuska, Compagnone, Reinaldo S., Riina, Ricarda, Briceño, Alexander, González, Teresa, Squitieri, Emilio, Landaeta, Carlos, Soscún, Humberto, Suárez, Alírica I.

Journal:

Natural Product Communications

Year:

2013

Language:

english

File:

PDF, 346 KB

english, 2013

13

Organic Monolayers as Mimics of Liquid/Liquid Interfaces: Molecular Dynamics Study of Electronic Spectra and Solvent Dynamics

Squitieri, Emilio, Benjamin, Ilan

Journal:

Journal of Physical Chemistry B

Year:

2001

Language:

english

File:

PDF, 99 KB

english, 2001

14

Potential use of small basis set on the calculations of electronic properties of some four-membered heterocycles: a conformational study

Romero, Angel H., Squitieri, Emilio

Journal:

Molecular Physics

Year:

2017

Language:

english

File:

PDF, 1.00 MB

english, 2017

15

Curvature contributions to the static electrical properties of push-pull molecules

Emilio Squitieri

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 468 KB

english, 2005

16

Simultaneous stochastic effects of a thermal reservoir and an electromagnetic field on the optical susceptibility of a two-level system

Pedro J. Colmenares, J.L. Paz, Rafael Almeida, Emilio Squitieri

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 498 KB

english, 1997

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