Density functional theory calculations and Vibrational spectral analysis of 3,5-(Dinitro benzoic acid). (original) (raw)
Communication: Vibrational study of a benzyl carbanion: Deprotonated 2,4-dinitrotoluene
Maria Crestoni
The Journal of Chemical Physics, 2012
View PDFchevron_right
Conformational Analysis of Molecules: Combined Vibrational Spectroscopy and Density Functional Theory Study
Partha Kundu
Applications of Molecular Spectroscopy to Current Research in the Chemical and Biological Sciences, 2016
View PDFchevron_right
An experimental and theoretical study of molecular structure and vibrational spectra of 2-chloronicotinic acid by density functional theory and ab initio Hartree–Fock calculations
mehmet çınar
Journal of Molecular Structure, 2008
View PDFchevron_right
Spectroscopic Studies and Structure of 4-(3-Benzoylthioureido)benzoic Acid
Fatma Aydin
Journal of Chemical Crystallography, 2010
View PDFchevron_right
Vibrational spectroscopic and computational study of 1,7,8,9-Tetrachloro-4-(4-bromo-butyl)-10,10-dimethoxy-4-aza-tricyclo[5.2.1.02,6] dec-8-ene-3,5-dione
Magdalena Pakosińska-parys
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
View PDFchevron_right
Spectroscopic and density functional theory study of functionalized thiophene-benzene derivatives
Afsar Khan
Journal of Raman Spectroscopy, 2005
View PDFchevron_right
Comparative vibrational spectroscopic investigation of benzonitrile derivatives using density functional theory
Sanjeev Trivedi
Der Pharma Chemica, 2019
View PDFchevron_right
Physico-chemical Characterization of 4-(4-Pentenyloxy)Benzonitrile
A. Martínez-richa
Molecular Crystals and Liquid Crystals, 2008
View PDFchevron_right
Molecular Structure, Vibrational Analysis and First Order Hyperpolarizability of 4-Methyl-3-Nitrobenzoic Acid Using Density Functional Theory
Dr. Jai Kishan Ojha
Optics and Photonics Journal, 2015
View PDFchevron_right
Molecular structure, vibrational, UV and NBO analysis of 4-chloro-7-nitrobenzofurazan by DFT calculations
china babu
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2011
View PDFchevron_right
Advanced Organic Chemistry Part A Structure and Mechanisms (Carey, Sundberg)
Gabriela Baron Fontanilla
View PDFchevron_right
Density functional theory treatment of the structures and vibrational frequencies of 2,4- and 2,6-dinitrotoluenes
Samuel Hernandez
Journal of Molecular Structure-theochem, 2006
View PDFchevron_right
Biological, Electronic, NLO, NBO, TDDFT and Vibrational Analysis of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide
anoop pandey
Iranian Journal of Chemistry & Chemical Engineering-international English Edition, 2020
View PDFchevron_right
Vibrational spectral investigations and density functional theory study of 4-Formylbenzoic acid
MAURICIO ALCOLEA PALAFOX
View PDFchevron_right
Molecular structure, vibrational spectroscopic, NBO, HOMO–LUMO and Mulliken analysis of 4-methyl-3-nitro benzyl chloride
Mustafa Kurt
Journal of Molecular Structure, 2012
View PDFchevron_right
Density Functional Theory Calculations for Diaminonaphthalene Molecules group
Ali Mohi
Mağallaẗ al-ʿulūm Ḏī Qār, 2014
View PDFchevron_right
The molecular structure and vibrational spectra of 2-chloro- N-(diethylcarbamothioyl)benzamide by Hartree–Fock and density functional methods
Hakan Arslan
Spectrochimica Acta Part A-molecular and Biomolecular Spectroscopy, 2007
View PDFchevron_right
Density functional theory study of dipicolinic acid isomers and crystalline polytypes
Estela Blaisten-Barojas
Computational and Theoretical Chemistry, 2011
View PDFchevron_right
FT-IR, FT-Raman, NMR and UV–vis spectra, vibrational assignments and DFT calculations of 4-butyl benzoic acid
Mustafa Kurt
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012
View PDFchevron_right
Analysis of a dinitro-based molecular device
Jorge Seminario
The Journal of Chemical Physics, 2002
View PDFchevron_right
Density functional study on the molecular structure, infrared and Raman spectra, and vibrational assignment for 4-thiocarbamoylpyridine
Ramalingam Kuppu
Journal of Molecular Structure, 2006
View PDFchevron_right
Vibrational analysis of 1, 8-dichlorooctane
Neena Jaggi
Indian Journal of Pure and Applied …, 2009
View PDFchevron_right
Vibrational Spectroscopy, Quantum Computational and Molecular Docking Studies on 2-[(1H-Benzimidazol-1-yl)-methyl]benzoic Acid
Ayesha A N I M A T O R Fatima
Crystals, 2022
View PDFchevron_right
Spectral (UV and NMR) Analysis Of 4-(Dimethylamino) Benzonitrile By Density Functional Theory Calculations
K. Parimala, joseph vedhagiri
2020
View PDFchevron_right
Vibrational spectra of nitric acid dihydrate (NAD)
Hinrich Grothe
Vibrational Spectroscopy, 2004
View PDFchevron_right
Computational analysis of the structures, bond properties, and electrostatic potentials of some nitrotetrahedranes and nitroazatetrahedranes
Jorge Seminario
The Journal of Physical Chemistry, 1989
View PDFchevron_right
Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole
Gözde Yalçın
Journal of Molecular Structure, 2017
View PDFchevron_right
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
vishalkumar more
2012
View PDFchevron_right
A density functional investigation of the structural and vibrational properties of the highly symmetric molecules M4O6, M4O10 (M=P, As, Sb, Bi)
Claude Pouchan
Vibrational Spectroscopy, 2008
View PDFchevron_right
Normal coordinate analysis, molecular structure, vibrational, electronic spectra and NMR investigation of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione by ab initio HF and DFT method
khaled bahgat
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2015
View PDFchevron_right
Spectrochimica Acta Part A , Molecular and Biomolecular Spectroscopy 183 (2017) 84–
Abdullah M. Asiri
View PDFchevron_right
Density functional study of the structure and some decomposition reactions of the dinitramide anion N(NO2)2−
Jorge Seminario
Journal of Molecular Structure: THEOCHEM, 1993
View PDFchevron_right
Ab-initio calculations, FT-IR and FT-Raman spectra of 2-chloro-6-methyl benzonitrile
Irena Kostova
Indian Journal of …, 2010
View PDFchevron_right