Theoretical and Vibrational Analysis of Substituted Hydrazones: Valence Force Field (original) (raw)
Theoretical and experimental assesment of structural, spectroscopic, electronic and nonlinear optical properties of two aroylhydrazone derivative
Hacali Necefoglu
Journal of Molecular Structure, 2021
View PDFchevron_right
On the roles of close shell interactions in the structure of acyl-substituted hydrazones: An experimental and theoretical approach
MOHAMMAD IFZAN ARSHAD, Mauricio Erben
View PDFchevron_right
Vibrational spectroscopic studies and computational study of quinoline-2-carbaldehyde benzoyl hydrazone
neema ani mangalam
Journal of Molecular Structure, 2010
View PDFchevron_right
Theoretical and vibrational study of N-(3-chloro-4-fluoro-phenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)-quinazolin-4-amine (gefitinib)
Talat ÖZPOZAN
Journal of Molecular Structure, 2015
View PDFchevron_right
Spectroscopic (FT-IR, FT-Raman, NMR and UV-Vis), ELF, LOL, NBO, and Fukui function investigations on (5-bromo-benzofuran-3-yl)-acetic acid hydrazide (5BBAH): Experimental and theoretical approach
sudhir hiremath
Journal of Molecular Structure, 2019
View PDFchevron_right
Vibrational spectroscopy (FT-IR and Laser-Raman) investigation, and computational (M06-2X and B3LYP) analysis on the structure of 4-(3-fluorophenyl)-1-(propan-2-ylidene)-thiosemicarbazone
Marta Struga
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
View PDFchevron_right
Theoretical Studies of Structure, Spectroscopy, and Properties of a New Hydrazine Derivative
hajar sahebalzamani
Journal of Chemistry, 2013
View PDFchevron_right
Vibrational spectroscopic (FT-IR and FT-Raman) studies, HOMO-LUMO, NBO analysis and MEP of 6-methyl-1-({[(2E)-2-methyl-3-phenyl-prop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetra-hydroquinazoline-2,4-dione, a potential chemotherapeutic agent, using density functional methods
Ali El-Emam
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015
View PDFchevron_right
A theoretical study on N-phenyl-N′-(2-thienylmethylene)hydrazine
Yusuf Atalay
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2007
View PDFchevron_right
FTIR, FT-Raman, ab initio and density functional studies on 4-methyl-1,3-dioxolan-2-one and 4,5-dichloro-1,3-dioxolan-2-one
Dr. S. Mohan
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010
View PDFchevron_right
Synthesis, Molecular Structure and Quantum Chemical Computational Interpretations on (E)-N'-(3, 4-Dimethoxy benzylidene)-Nicotinohydrazide Monohydrate by DFT-B3LYP and M02-2X level of Calculations; A Comparative Study
International Journal of Advanced Science and Engineering (IJASE)
View PDFchevron_right
A new vibrational study of Acetazolamide compound based on normal coordinate analysis and DFT calculations
Erol Eroglu
Journal of Molecular Structure, 2011
View PDFchevron_right
Molecular Structure, Vibrational Spectral Investigations (FT-IR and FT-Raman), NLO, NBO, HOMO-LUMO, MEP Analysis of (E)-2-(3-pentyl-2,6-diphenylpiperidin-4-ylidene)-N-phenylhydrazinecarbothioamide Based on DFT and Molecular Docking Studies
Sugumar Paramasivam
Biointerface Research in Applied Chemistry, 2020
View PDFchevron_right
Structural, spectroscopic and computational investigations on (4,6- dimethyl-benzofuran-3-yl)-acetic acid hydrazide
Govinda Prasad Khanal
View PDFchevron_right
Vibrational spectra of the hydrazides of (tetrazol-1-yl)- and (tetrazol-2-yl)acetic acids and their deuterated analogs
Valery Sinditskii
Chemistry of Heterocyclic Compounds, 1991
View PDFchevron_right
Vibrational Spectral Analysis on FT-IR, FT- Raman, 1 H & 13 C NMR and UV-Visible using Density Functional Theory (DFT) investigation: Docking and Antibacterial Studies of 4- Carboxyphenylboronic acid
Dr. Sundari Sadayappan
International Journal of Research and Analytical Reviews (IJRAR), 2018
View PDFchevron_right
Density functional theory study of vibrational spectra, and assignment of fundamental modes of dacarbazine
Sethu Gunasekaran
Journal of Chemical Sciences, 2008
View PDFchevron_right
Electronic structure, electric moments and vibrational analysis of 5-nitro-2-furaldehyde semicarbazone: A D.F.T. study
Vijay Narayan
Computational and Theoretical Chemistry, 2011
View PDFchevron_right
Vibrational spectroscopy and theoretical studies on 2,4-dinitrophenylhydrazine
Vasile Chis
Journal of Molecular Structure, 2005
View PDFchevron_right
Vibrational spectroscopy (FT-IR and FT-Raman) investigation, and hybrid computational (HF and DFT) analysis on the structure of 2,3-naphthalenediol
sengeny periandy
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2011
View PDFchevron_right
Molecular structure, vibrational spectroscopic, first‐order hyperpolarizability and HOMO, LUMO studies of 3‐hydroxy‐2‐naphthoic acid hydrazide
Nataraj Ayyam perumal
Journal of Raman …, 2010
View PDFchevron_right
Structure and vibrational assignment of 3,4-diacetyl-2,5-hexanedione. A density functional theoretical study
Mansoureh Zahedi-Tabrizi
Journal of Molecular Structure, 2007
View PDFchevron_right
Vibrational, Structural and Hydrogen bonding analysis of N-[(E)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy) acetohydrazide: combined density functional and atoms-in-molecule based theoretical studies
Ambrish K. Srivastava
View PDFchevron_right
Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods
s muthu
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013
View PDFchevron_right
Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide using density functional method
antonio hernanz
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
View PDFchevron_right
FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO–LUMO analysis of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)ethane by ab initio HF and DFT methods
akhil krishnan
Journal of Molecular Structure, 2010
View PDFchevron_right
FT-IR, Laser-Raman spectra and quantum chemical calculations of methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate-A DFT approach
Fatih Ucun
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
View PDFchevron_right
Vibrational frequency analysis, FT-IR and Laser-Raman spectra, DFT studies on ethyl (2E)-2-cyano-3-(4-methoxyphenyl)-acrylate
Dr Mohan R Nadigar, Fatih Ucun, S. Sreenivasa
View PDFchevron_right
Molecular structure and vibrational analysis on (E)-1-(3-methyl-2,6-diphenyl piperidin-4-ylidene) semicarbazide
Dhandapani A, MANI VARMAN
View PDFchevron_right
Synthetic, spectroscopic, SC-XRD and nonlinear optical analysis of potent hydrazide derivatives: A comparative experimental and DFT/TD-DFT exploration
Burhan Khan
Journal of Molecular Structure, 2019
View PDFchevron_right
DFT Study of a Series of Nicotinic Acid Benzylidenehydrazide Derivatives: Structure, Stability and Reactivity
Zakia Hank
The Eurasia Proceedings of Science Technology Engineering and Mathematics, 2023
View PDFchevron_right
Molecular structure and vibrational and chemical shift assignments of 6-(2-hydroxyethyl)-2,3,4-triphenyl-2,6-dihydro-7 H-pyrazolo[3,4- d]pyridazin-7-one by DFT and ab initio HF calculations
Sibel Demir
Journal of Molecular Structure, 2011
View PDFchevron_right
Vibrational and DFT study of 5-(3-pyridyl-methylidene)-thiazolidine-2-thione-4-one
Maria Baias
Vibrational …, 2008
View PDFchevron_right
Vibrational spectra and DFT study of anti-cancer active molecule 2-(4-Bromophenyl)-1H-benzimidazole by normal coordinate analysis
Naghmana Rashid
Spectrochimica Acta Part A: Molecular and …, 2010
View PDFchevron_right
Spectroscopic investigation (FT-IR, FT-Raman), HOMO-LUMO, NBO analysis and molecular docking study.pdf
Fazal Edakot
View PDFchevron_right