Infrared and Raman spectra of trimethoxyborane isotopomers and quantum-chemical studies of structure and force field

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.02.073 ◽

2010 ◽

Vol 976 (1-3) ◽

pp. 360-370

Author(s):

Alison M. Coats ◽

Donald C. McKean ◽

Howell G.M. Edwards ◽

Victor A. Fawcett

Keyword(s):

Force Field ◽

Raman Spectra ◽

Quantum Chemical ◽

Infrared And Raman Spectra ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum chemical studies of FT-IR and Raman spectra of methyl 2,5-dichlorobenzoate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.05.032 ◽

2011 ◽

Vol 79 (5) ◽

pp. 1663-1668 ◽

Author(s):

Xiaopeng Xuan ◽

Cuiping Zhai

Keyword(s):

Raman Spectra ◽

Quantum Chemical ◽

Ir And Raman Spectra ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

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Retraction notice to: Experimental FT-IR, FT-Raman spectra and quantum chemical studies of optimized molecular structures, conformers and vibrational characteristics of Nicotinic acid and Thio-nicotinic acid [Spectrochim. Acta Part A: Mol. Biomol. Spectrosc. 96 (2012) 163–178]

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.08.042 ◽

2012 ◽

Vol 96 ◽

pp. R1 ◽

Author(s):

Priyanka Singh ◽

T.K. Yadav ◽

M. Karabacak ◽

R.A. Yadav ◽

N.P. Singh

Keyword(s):

Nicotinic Acid ◽

Raman Spectra ◽

Quantum Chemical ◽

Molecular Structures ◽

Vibrational Characteristics ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Retraction Notice ◽

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FTIR, FT-Raman spectra and quantum chemical studies of nebivolol

Molecular Simulation ◽

10.1080/08927022.2011.589049 ◽

2011 ◽

Vol 37 (12) ◽

pp. 1044-1052

Author(s):

Lakshmi Jaganathan ◽

R. Meenakshi ◽

S. Gunasekaran ◽

S. Srinivasan

Keyword(s):

Raman Spectra ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

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Modeling Anhydrous and Aqua Copper(II) Amino Acid Complexes: A New Molecular Mechanics Force Field Parametrization Based on Quantum Chemical Studies and Experimental Crystal Data

Inorganic Chemistry ◽

10.1021/ic025967d ◽

2003 ◽

Vol 42 (7) ◽

pp. 2268-2279 ◽

Author(s):

Jasmina Sabolović ◽

Christofer S. Tautermann ◽

Thomas Loerting ◽

Klaus R. Liedl

Keyword(s):

Force Field ◽

Molecular Mechanics ◽

Quantum Chemical ◽

Crystal Data ◽

Amino Acid Complexes ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Experimental Crystal ◽

Force Field Parametrization

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Experimental IR and Raman spectra and quantum chemical studies of molecular structures, conformers and vibrational characteristics of nicotinic acid and its N-oxide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.04.062 ◽

2011 ◽

Vol 79 (5) ◽

pp. 1316-1325 ◽

Author(s):

M. Kumar ◽

R.A. Yadav

Keyword(s):

Nicotinic Acid ◽

Raman Spectra ◽

Quantum Chemical ◽

Molecular Structures ◽

Ir And Raman Spectra ◽

Experimental Ir ◽

Vibrational Characteristics ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

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Experimental IR and Raman spectra and quantum chemical studies of molecular structures, conformers and vibrational characteristics of l-ascorbic acid and its anion and cation

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.07.043 ◽

2011 ◽

Vol 84 (1) ◽

pp. 6-21 ◽

Author(s):

R.A. Yadav ◽

P. Rani ◽

M. Kumar ◽

R. Singh ◽

Priyanka Singh ◽

...

Keyword(s):

Ascorbic Acid ◽

Raman Spectra ◽

Quantum Chemical ◽

Molecular Structures ◽

Ir And Raman Spectra ◽

Experimental Ir ◽

Vibrational Characteristics ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

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Vibrational (FT-IR and FT-Raman) spectra and quantum chemical studies on the molecular orbital calculations, chemical reactivity and thermodynamic parameters of 2-chloro-5-(trifluoromethyl) aniline

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.01.034 ◽

2013 ◽

Vol 107 ◽

pp. 72-81 ◽

Author(s):

T. Karthick ◽

V. Balachandran ◽

S. Perumal ◽

A. Nataraj

Keyword(s):

Thermodynamic Parameters ◽

Molecular Orbital ◽

Raman Spectra ◽

Quantum Chemical ◽

Chemical Reactivity ◽

Molecular Orbital Calculations ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

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RETRACTED: Experimental FT-IR, FT-Raman spectra and quantum chemical studies of optimized molecular structures, conformers and vibrational characteristics of nicotinic acid and thio-nicotinic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.04.063 ◽

2012 ◽

Vol 96 ◽

pp. 163-178 ◽

Author(s):

Priyanka Singh ◽

T.K. Yadav ◽

M. Karabacak ◽

R.A. Yadav ◽

N.P. Singh

Keyword(s):

Nicotinic Acid ◽

Raman Spectra ◽

Quantum Chemical ◽

Molecular Structures ◽

Vibrational Characteristics ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

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Quantum Chemical Studies of Hole Transfer in Liquid Hexane

IEEJ Transactions on Fundamentals and Materials ◽

10.1541/ieejfms.137.435 ◽

2017 ◽

Vol 137 (7) ◽

pp. 435-441

Author(s):

Masahiro Sato ◽

Akiko Kumada ◽

Kunihiko Hidaka ◽

Toshiyuki Hirano ◽

Fumitoshi Sato

Keyword(s):

Quantum Chemical ◽

Hole Transfer ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum Chemical Studies for the Reactivity and Antimicrobial Activity of Phenazine Derivatives

Taegu Science University Defense Security Institute ◽

10.37181/jscs.2020.4.5.135 ◽

2020 ◽

Vol 4 (5) ◽

pp. 135-145

Author(s):

Ji-Hoon Han ◽

Gil-Jun Lee

Keyword(s):

Antimicrobial Activity ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies

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