Assessment of long-range corrected and conventional DFT functional for the prediction of second – Order NLO properties and other molecular properties of N-(2-cyanoethyl)-N-butylaniline – A vibrational spectroscopy study-Reference-Cited by-同舟云学术

Assessment of long-range corrected and conventional DFT functional for the prediction of second – Order NLO properties and other molecular properties of N-(2-cyanoethyl)-N-butylaniline – A vibrational spectroscopy study

Published:2015-07 Issue: Volume:146 Page:66-79
ISSN:1386-1425
Container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
language:en
Short-container-title:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Author:

Anitha K.,Balachandran V.

Publisher

Elsevier BV

Subject

Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry

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1. Origin of High Second- and Third-Order Nonlinear Optical Response in Ammonio/Borato Diphenylpolyene Zwitterions: the Remarkable Role of Polarized Aromatic Groups

2. Structural and electronic contributions to hyperpolarizability in methyl p-hydroxy benzoate

3. Sizable Second-Order Nonlinear Optical Response of Donor-Acceptor Bis(salicylaldiminato)nickel(II) Schiff Base Complexes

4. Hyperpolarizabilities of the nitroanilines and their relations to the excited state dipole moment

5. Design and construction of molecular assemblies with large second-order optical nonlinearities. Quantum chemical aspects

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