Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV–vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method-Reference-Cited by-同舟云学术

Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV–vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional method

Published:2012-02 Issue: Volume:86 Page:159-173
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:

Chaitanya K.

Publisher

Elsevier BV

Subject

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

Reference48 articles.

1. The important role of the bromo group in improving the properties of organic nonlinear optical materials

2. Second-order nonlinearity in poled-polymer systems

3. Fluorinated NLO polymers with improved optical transparency in the near infrared

4. Chromophores with Strong Heterocyclic Acceptors: A Poled Polymer with a Large Electro-Optic Coefficient

5. Second-Order Nonlinear Optical Properties Of Thiophene Containing Chromophores With Extended Conjugation

Cited by 83 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Characterization of new hybrid material based on 5-amino-3-methyl-1-phenyl-1H-1,2,4-triazole and bismuth: Hydrothermal synthesis, structural analysis, thermal behavior, vibrational and optical properties, and Hirshfeld surface calculations;Journal of Molecular Structure;2024-12

2. Spectroscopic analysis and thermodynamic investigation of Newly Synthesized Novel dihydro-pyrimidine derivatives by using DFT (B3LYP) calculations;Journal of Molecular Structure;2024-10

3. Spectroscopic and computational methods in the characterization of deep eutectic solvent, Gallic acid, and Glycerol;Spectroscopy Letters;2024-08-08

4. Integrated computational modeling and in-silico validation of flavonoids-Alliuocide G and Alliuocide A as therapeutic agents for their multi-target potential: Combination of molecular docking, MM-GBSA, ADMET and DFT analysis;South African Journal of Botany;2024-06

5. UiO-66 uniformly assembled foldable polyimide films with high transmittance and excellent ultraviolet resistance;Composites Science and Technology;2024-06