Results 191 to 198 of about 1,070 (198)

Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material

Computational and Theoretical Chemistry, 2017
Sümeyye Altürk, Davut Avci, Ömer Tamer   +2 more
exaly  

Giant QCD K-factors beyond NLO

Journal of High Energy Physics, 2010
Gavin P Salam, S Sapeta, Salam Gavin P
exaly  

Spectroscopic elucidation, quantum chemical computations (FMO, HOMO–LUMO, MEP, NLO), and biological activity on some novel heterocyclic compounds using 3-substituted-6,8-dimethylchromones

Synthetic Communications
Magdy A Ibrahim, Al-Shimaa Badran
exaly  

Quantum computational investigation into the optoelectronic and NLO properties of C8H8O3.C3H7NO2 single crystal

Journal of Molecular Structure
P. Jayaprakash, Ramachandran Rajamanickam, S. Selvaraj   +2 more
openaire   +1 more source

Tuning optoelectronic and NLO properties of naphthalimide-phenothiazine dyes using cyano groups – a computational study

Structural Chemistry
Serangolam Krishnasami Sridhar, Rajadurai Vijay Solomon   +1 more
openaire   +1 more source

Growth, characterization and computational analysis on the NLO crystal 3-pyridinecarboxamide

2014
openaire   +1 more source

Computational Studies on the NLO Properties of Molecules and Clusters Containing Excess Electrons

openaire   +1 more source

Structure, electronic, vibrational, and NLO properties of thiolato-bridged diruthenium cations: A computational study

Journal of Organometallic Chemistry
openaire   +1 more source