Comparison of different hybrid DFT methods on structural, spectroscopic, electronic and NLO parameters for a potential NLO material-Reference-Cited by-同舟云学术

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

Published:2017-01 Issue: Volume:1100 Page:34-45
ISSN:2210-271X
Container-title:Computational and Theoretical Chemistry
language:en
Short-container-title:Computational and Theoretical Chemistry

Author:

Altürk Sümeyye,Avcı Davut,Tamer Ömer,Atalay Yusuf

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference64 articles.

1. Preparation and characterisation of polymer composites based on charge-transfer complex: O-tolidine-iodine in polystyrene;Gupta;J. Appl. Sci.,2005

2. Synthesis, spectroscopic, AC conductivity and thermal studies on Co (III) acetylacetonate-iodine complex;Hashem;Surface Rev. Lett.,2006

3. The microcrystals of BEDT-TTF and BEDO-TTF polyiodides forming the conducting networks within polymer film surface and their transformations;Tracz;Pol. J. Chem.,2002

4. Studies on growth and characterization of a novel nonlinear optical and ferroelectric material-N;Shanthi;N-dimethylurea Picrate Single Crystal J. Crystal Growth,2014

5. Effect of hydrogen bonds on physical properties of ammonium dihydrogenphosphate crystals;Xue;J. Mol. Struct. THEOCHEM,2005

Cited by 53 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. Synthesis, QTAIM, anticancer activity analysis of pyrrole-imidazole/benzimidazole derivatives and investigation of their reactivity properties using DFT calculations and molecular docking;Journal of Molecular Structure;2025-02

2. Aldose Reductase Evaluation against Diabetic Complications Using ADME and Molecular Docking Studies and DFT Calculations of Spiroindoline Derivative Molecule;Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi;2024-08-23

3. A new organic compound (C9H12N2O2): Crystal structure, characterization, Hirshfeld surface analysis, electronic properties, NLO properties, DFT calculation and molecular docking;Solid State Sciences;2024-08

4. Phenyl-urea chromophores: DFT insights into nonlinear optical enhancement;Materials Today Communications;2024-08

5. Change in nonlinear optical response of C₂₄ nanocage upon doping with lithium based superalkalis;Physica Scripta;2024-07-25