Nonlinear optical properties of DPO and DMPO: a theoretical and computational study

Assessment of long-range corrected functionals for the prediction of non-linear optical properties of organic materials

(2013) Alejandro J. Garza et al.   CHEMICAL PHYSICS LETTERS

Synthesis, Characterization, Absorbance, Fluorescence and Non Linear Optical Properties of Some Donor Acceptor Chromophores

(2012) Abdullah M. Asiri et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Synthesis and Spectral Properties of 4-(2,5-Dimethoxyphenylmethelene)-2-phenyl-5-oxazolone (DMPO)

(2012) Samy A. El-Daly et al.   CHINESE JOURNAL OF CHEMISTRY

Assessing the quantum mechanical level of theory for prediction of linear and nonlinear optical properties of push-pull organic molecules

(2012) Diego Paschoal et al.   JOURNAL OF MOLECULAR MODELING

Spectral characteristics of 4-(p-N,N-dimethyl-aminophenylmethylene)-2-phenyl-5-oxazolone (DPO) in different media

(2012) Abdullah M. Asiri et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Crystal Structure and Conformational Analysis of 4-[(p-N,N-Dimethylamino)Benzylidene]-2-Phenyloxazole-5-One

(2011) Resul Sevinçek et al.   JOURNAL OF CHEMICAL CRYSTALLOGRAPHY

Electron correlation effects on the first hyperpolarizability of push–pull π-conjugated systems

(2011) Marc de Wergifosse et al.   JOURNAL OF CHEMICAL PHYSICS

Density functional theory calculations of dynamic first hyperpolarizabilities for organic molecules in organic solvent: Comparison to experiment

(2011) Shih-I Lu et al.   JOURNAL OF CHEMICAL PHYSICS

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Density functional theory with London dispersion corrections

(2011) Stefan Grimme   Wiley Interdisciplinary Reviews-Computational Molecular Science

Electronic and vibrational contributions to first hyperpolarizability of donor–acceptor-substituted azobenzene

(2010) Robert Zaleśny et al.   JOURNAL OF CHEMICAL PHYSICS

Bond Length Alternation of Conjugated Oligomers: Wave Function and DFT Benchmarks

(2010) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

(E)-4-(2,5-Dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one

(2009) Abdullah Mohamed Asiri et al.   ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Linear and Nonlinear Optical Properties of [60]Fullerene Derivatives

(2009) O. Loboda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Revisiting the nonlinear optical properties of polybutatriene and polydiacetylene with density functional theory

(2008) Eric A. Perpète et al.   CHEMICAL PHYSICS LETTERS

Extensive TD-DFT investigation of the first electronic transition in substituted azobenzenes

(2008) Denis Jacquemin et al.   CHEMICAL PHYSICS LETTERS

Nonlinear optical property calculations of polyynes with long-range corrected hybrid exchange-correlation functionals

(2008) Jong-Won Song et al.   JOURNAL OF CHEMICAL PHYSICS

Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability

(2008) Kyrill Yu. Suponitsky et al.   JOURNAL OF CHEMICAL PHYSICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes:  Conventional versus Long-Range Hybrids

(2007) Denis Jacquemin et al.   Journal of Chemical Theory and Computation