Linear optical properties and their bond length dependence of yttrium bromide from ab initio and density functional theory calculations

Optical Properties ◽

Ab Initio ◽

Bond Length ◽

Density Functional ◽

Functional Theory ◽

Length Dependence ◽

Spectroscopic studies, Density Functional Theory calculations, and non‐linear optical properties of binuclear Fe( III ), Co( II ), Ni( II ), Cu( II ), and Zn( II ) complexes of OONN Schiff base ligand

Journal of the Chinese Chemical Society ◽

10.1002/jccs.202000024 ◽

2020 ◽

Vol 67 (10) ◽

pp. 1783-1793

Author(s):

Hussein Moustafa ◽

Gehad G. Mohamed ◽

Salwa Elramly

Keyword(s):

Optical Properties ◽

Schiff Base ◽

Schiff Base Ligand ◽

Density Functional ◽

Spectroscopic Studies ◽

Functional Theory ◽

Non Linear ◽

Linear Optical Properties

Ultraviolet Absorption Spectra, Solvent Effect and Non-Linear Optical Properties of Tetrahydroxy-1,4-quinone Hydrate by Hartee-Fock and Density Functional Theory

Asian Journal of Chemistry ◽

10.14233/ajchem.2017.20741 ◽

2017 ◽

Vol 29 (10) ◽

pp. 2241-2248 ◽

Cited By ~ 3

Author(s):

Sarvendra Kumar ◽

Surbhi ◽

M.K. Yadav

Keyword(s):

Optical Properties ◽

Solvent Effect ◽

Absorption Spectra ◽

Density Functional ◽

Ultraviolet Absorption ◽

Functional Theory ◽

Non Linear ◽

The linear optical properties for NaCl phase of calcium mono chalcogenides by density functional theory

Computational Materials Science ◽

10.1016/j.commatsci.2008.10.003 ◽

2009 ◽

Vol 45 (2) ◽

pp. 315-320 ◽

Cited By ~ 25

Author(s):

M. Dadsetani ◽

H. Doosti

Keyword(s):

Optical Properties ◽

Density Functional ◽

Functional Theory ◽

Spectroscopic studies, density functional theory calculations, non-linear optical properties, biological activity of 1-hydroxy-4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)diazenyl)-2-naphthoic acid and its chelates with Nickel (II), Copper (II), Zinc (II) and Palladium (II) metal ions

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129203 ◽

2021 ◽

Vol 1223 ◽

pp. 129203

Author(s):

Nora S. Abdel-Kader ◽

Samir A. Abdel-Latif ◽

Aida L. El-Ansary ◽

Amira G. Sayed

Keyword(s):

Optical Properties ◽

Biological Activity ◽

Metal Ions ◽

Density Functional ◽

Spectroscopic Studies ◽

Functional Theory ◽

Naphthoic Acid ◽

Linear Optical Properties

Theoretical investigations into spectral and non-linear optical properties of brucine and strychnine using density functional theory

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.04.089 ◽

2014 ◽

Vol 131 ◽

pp. 461-470 ◽

Cited By ~ 18

Author(s):

Nasarul Islam ◽

Saba Niaz ◽

Taniya Manzoor ◽

Altaf Hussain Pandith

Keyword(s):

Optical Properties ◽

Density Functional ◽

Functional Theory ◽

Theoretical Investigations ◽

Non Linear ◽

Ultraviolet Absorption Spectra, Solvent Effect and Non-Linear Optical Properties of 2-Amino-4,6-dimethylpyridine by Hartee-Fock and Density Functional Theory

Asian Journal of Chemistry ◽

10.14233/ajchem.2016.19928 ◽

2016 ◽

Vol 28 (10) ◽

pp. 2204-2210 ◽

Cited By ~ 2

Author(s):

Jayant Teotia ◽

Sarvendra Kumar ◽

Surbhi ◽

Rajesh Kumar ◽

M.K. Yadav

Keyword(s):

Optical Properties ◽

Solvent Effect ◽

Absorption Spectra ◽

Density Functional ◽

Ultraviolet Absorption ◽

Functional Theory ◽

Non Linear ◽

Investigations of electronic, chemical and non-linear optical properties of para-chloroacetophenone and meta-chloroacetophenone using density functional theory

SOP Transactions on Physical Chemistry ◽

10.15764/pche.2014.02007 ◽

2014 ◽

Vol 1 (2) ◽

pp. 78-88 ◽

Cited By ~ 1

Author(s):

David Pegu ◽

Keyword(s):

Optical Properties ◽

Density Functional ◽

Functional Theory ◽

Non Linear ◽

Linear Optical ◽

Electronic Chemical

Vibrational spectral studies and non-linear optical properties of l-leucine l-leucinium picrate: A Density Functional Theory approach

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.06.080 ◽

2013 ◽

Vol 115 ◽

pp. 437-444 ◽

Cited By ~ 29

Author(s):

Sameh Guidara ◽

Habib Feki ◽

Younes Abid

Keyword(s):

Optical Properties ◽

Density Functional ◽

Spectral Studies ◽

Theory Approach ◽

Functional Theory ◽

Non Linear ◽

Electrochemical, Linear Optical, and Nonlinear Optical Properties and Interpretation by Density Functional Theory Calculations of (4-N,N-Dimethylaminostyryl)-Pyridinium Pendant Group Associated with Polypyridinic Ligands and Respective Multifunctional Metal Complexes (RuIIor ZnII)

Inorganic Chemistry ◽

10.1021/ic900060d ◽

2009 ◽

Vol 48 (17) ◽

pp. 8120-8133 ◽

Cited By ~ 29

Author(s):

Frédéric Dumur ◽

Cédric R. Mayer ◽

Khuyen Hoang-Thi ◽

Isabelle Ledoux-Rak ◽

Fabien Miomandre ◽

...

Keyword(s):

Optical Properties ◽

Metal Complexes ◽

Density Functional ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Pendant Group ◽

Functional Theory ◽

Density functional theory study of linear and non-linear optical properties of dihydroazulene-vinylheptafulvene photoswitches

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2016.09.013 ◽

2016 ◽

Vol 1095 ◽

pp. 1-8 ◽

Cited By ~ 9

Author(s):

Riffat Un Nisa ◽

Nasir Shahzad ◽

Khurshid Ayub

Keyword(s):

Optical Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Non Linear ◽