Detalhe da pesquisa
1.
An efficient method for calculating dynamical hyperpolarizabilities using real-time time-dependent density functional theory.
J Chem Phys
; 138(6): 064104, 2013 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-23425458
2.
Rational enhancement of second-order nonlinearity: bis-(4-methoxyphenyl)hetero-aryl-amino donor-based chromophores: design, synthesis, and electrooptic activity.
J Am Chem Soc
; 130(32): 10565-75, 2008 Aug 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-18642806
3.
Temperature Transferability of Force Field Parameters for Dispersion Interactions.
J Chem Theory Comput
; 14(7): 3595-3602, 2018 Jul 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-29800527
4.
Linear and nonlinear optical properties of a macrocyclic trichromophore bundle with parallel-aligned dipole moments.
J Phys Chem B
; 110(11): 5434-8, 2006 Mar 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-16539480
5.
Systematic Generation of Anisotropic Coarse-Grained Lennard-Jones Potentials and Their Application to Ordered Soft Matter.
J Chem Theory Comput
; 12(9): 4362-74, 2016 Sep 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-27434770
6.
Relation of system dimensionality and order parameters.
J Phys Chem B
; 119(7): 3205-12, 2015 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-25634125
7.
Solvents level dipole moments.
J Phys Chem B
; 115(43): 12566-70, 2011 Nov 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-21923185
8.
Dielectric dependence of the first molecular hyperpolarizability for electro-optic chromophores.
J Phys Chem B
; 115(13): 3505-13, 2011 Apr 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-21410147
9.
Measuring order in contact-poled organic electrooptic materials with variable-angle polarization-referenced absorption spectroscopy (VAPRAS).
J Phys Chem B
; 115(2): 231-41, 2011 Jan 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-21166390
10.
Dielectric constants of simple liquids: stockmayer and ellipsoidal fluids.
J Phys Chem B
; 114(25): 8431-40, 2010 Jul 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-20527870
11.
Reduced dimensionality in organic electro-optic materials: theory and defined order.
J Phys Chem B
; 114(37): 11949-56, 2010 Sep 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-20731406
12.
Modeling the optical behavior of complex organic media: from molecules to materials.
J Phys Chem B
; 113(47): 15581-8, 2009 Nov 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-19835361
13.
Theory-guided design and synthesis of multichromophore dendrimers: an analysis of the electro-optic effect.
J Am Chem Soc
; 129(24): 7523-30, 2007 Jun 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-17523637
14.
Antiparallel-aligned neutral-ground-state and zwitterionic chromophores as a nonlinear optical material.
J Am Chem Soc
; 128(21): 6847-53, 2006 May 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-16719465
15.
Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores.
J Am Chem Soc
; 127(8): 2758-66, 2005 Mar 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-15725034