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Materials Today: Proceedings, 2016
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Monatshefte für Chemie - Chemical Monthly, 2007
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Journal of Atomic and Molecular Sciences, 2011
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Journal of Molecular Structure-theochem, 2005
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Materials Focus, 2014
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Croatica Chemica Acta
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Theoretical investigation of the conformation, acidity, basicity and hydrogen bonding ability of halogenated ethers
Danuta Michalska
Physical Chemistry Chemical Physics, 2010
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Vibrational Spectroscopy, 2020
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Computational Biology and Chemistry, 2020
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Журнал структурной химии, 2019
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Conformational Analysis of 2-Methoxy-2-oxo-1,3,2-dioxaphosphorinane and Its Methylthio and Methylselenyl Analogues
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Russian Journal of Physical Chemistry A, 2020
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Conformational stabilities, rotational barriers, and vibrational spectra of 2-pyrrolecarboxaldehyde and 3-pyrrolecarboxaldehyde calculated using density functional theory
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Журнал структурной химии, 2019
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Computational Insights on Molecular Structure, Electronic Properties, and Chemical Reactivity of (E)-3-(4-Chlorophenyl)-1-(2-Hydroxyphenyl)Prop-2-en-1-one
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Material Science Research India, 2020
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TURKISH JOURNAL OF CHEMISTRY, 2016
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Quantum Chemical Modeling of N-(2-benzoylphenyl)oxalamate: Geometry Optimization, NMR, FMO, MEP and NBO Analysis Based on DFT Calculations
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Journal of Physical & Theoretical Chemistry, 2017
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Conformational profile, vibrational assignments, NLO properties and molecular docking of biologically active herbicide1,1-dimethyl-3-phenylurea
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Heliyon, 2019
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Density Functional Theory and Atoms-in-Molecules Investigation of Intramolecular Hydrogen Bonding in Derivatives of Malonaldehyde and Implications for Resonance-Assisted Hydrogen Bonding
Jeffrey Woodford
Journal of Physical Chemistry A, 2007
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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015
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Structural, biological and computational study of oxamide derivative
Journal of the Serbian Chemical Society
Journal of the Serbian Chemical Society, 2022
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Molecular and computational structure characterizations of (E)-2-ethoxy-6-[(4-fluorophenylimino)methyl]phenol
Mustafa Odabasoglu
Journal of the Iranian Chemical Society, 2011
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Quantitative Evaluation of C–H···O and C–H···π Intermolecular Interactions in Ethyl-3-benzyl-1-methyl-2-oxoindoline-3-carboxylate and 3-Methyl-but-2-en-1-yl-1,3-dimethyl-2-oxoindoline-3-carboxylate: Insights from PIXEL and Hirshfeld Analysis
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Journal of Chemical Crystallography, 2014
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The O–H⋯π hydrogen bonded phenol–benzene(+) radical cationic dimer: a gradient-corrected density functional study
Ljupco Pejov
Chemical Physics Letters, 2002
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Experimental and theoretical studies on the structure, electronic and vibrational spectra of o/p -hydroxybenzylidene- o/p -toluidines
manas rath
2016
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225 Molecular and Computational Structure Characterizations of (E)-2-Ethoxy-6-[(4-fluorophenylimino)methyl]phenol
Mustafa Odabasoglu
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Molecular Structure of Phenytoin: NMR, UV-Vis and Quantum Chemical Calculations
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Croatica Chemica Acta, 2015
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Journal of Molecular Structure-THEOCHEM, 1982
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Intramolecular non-bonded interactions between oxygen and group VIA elements. An ab initio molecular orbital and density functional theory investigation of the structures of HX–CH2–CHO (X=S, Se and Te)
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Journal of Molecular Structure: THEOCHEM, 1999
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Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene based on density functional theory calculations
KVSN Raju
2014
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Molecular conformational analysis, vibrational spectra, NBO analysis and first hyperpolarizability of (2E)-3-phenylprop-2-enoic anhydride based on density functional theory calculations
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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014
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Vibrational Analysis and MP2 Calculations of [(4-Hydroxyphenyl)amino] (oxo) Acetic Acid
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International journal of engineering research and technology, 2019
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Conformational investigation of N,N′-propylene bis(benzohydroxamamide), its oxotechnetium(v) and oxorhenium(v) complexes and determination of their reaction energies
Yasushi Arano
2005
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Molecular Descriptors and Properties of Organic Molecules
Lucia Pintilie
Symmetry (Group Theory) and Mathematical Treatment in Chemistry
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