Synthesis, spectral analysis and quantum chemical studies on molecular geometry of (2E,6E)-2,6-bis(2-chlorobenzylidene)cyclohexanone: Experimental and theoretical approaches

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.02.077 ◽

2016 ◽

Vol 1116 ◽

pp. 9-21 ◽

Cited By ~ 6

Author(s):

Anil Kumar Verma ◽

Abha Bishnoi ◽

Shaheen Fatma

Keyword(s):

Spectral Analysis ◽

Quantum Chemical ◽

Molecular Geometry ◽

Theoretical Approaches ◽

Chemical Studies ◽

Quantum Chemical Studies

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Synthesis, spectral analysis and quantum chemical studies on molecular geometry, chemical reactivity of 7-chloro-9-(2′-chlorophenyl)-2,3-dihydroacridin-4(1H)-one and 7-chloro-9-(2′-fluorophenyl)-2,3-dihydroacridin-4(1H)-one

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.08.080 ◽

2017 ◽

Vol 1128 ◽

pp. 279-289 ◽

Cited By ~ 4

Author(s):

Rajendran Satheeshkumar ◽

Koray Sayin ◽

Werner Kaminsky ◽

Karnam Jayarampillai Rajendra Prasad

Keyword(s):

Spectral Analysis ◽

Quantum Chemical ◽

Chemical Reactivity ◽

Molecular Geometry ◽

Chemical Studies ◽

Quantum Chemical Studies

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Synthesis, spectral analysis (FT-IR, 1H NMR, 13C NMR and UV–visible) and quantum chemical studies on molecular geometry, NBO, NLO, chemical reactivity and thermodynamic properties of novel 2-amino-4-(4-(dimethylamino)phenyl)-5-oxo-6-phenyl-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carbonitrile

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.04.026 ◽

2015 ◽

Vol 1095 ◽

pp. 112-124 ◽

Cited By ~ 14

Author(s):

Shaheen Fatma ◽

Abha Bishnoi ◽

Anil Kumar Verma

Keyword(s):

Spectral Analysis ◽

Thermodynamic Properties ◽

13C Nmr ◽

Quantum Chemical ◽

Chemical Reactivity ◽

Molecular Geometry ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Uv Visible

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Spectral analysis and quantum chemical studies of chair and twist-boat conformers of cycloheximide in gas and solution phases

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.10.037 ◽

2018 ◽

Vol 1154 ◽

pp. 428-436 ◽

Cited By ~ 1

Author(s):

A. Tokatli ◽

F. Ucun ◽

K. Sütçü ◽

Y.E. Osmanoğlu ◽

Ş. Osmanoğlu

Keyword(s):

Spectral Analysis ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Twist Boat

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Spectroscopic and quantum chemical studies of molecular geometry, frontier molecular orbital, NLO, NBO analysis of 7-chloro-1 methyl-5-phenyl-1,5-dihydro-benzo[1,4]diazepine-2,4-dione

Optik ◽

10.1016/j.ijleo.2016.01.198 ◽

2016 ◽

Vol 127 (12) ◽

pp. 5055-5064 ◽

Cited By ~ 3

Author(s):

B. Sylaja ◽

S. Gunasekaran ◽

S. Srinivasan

Keyword(s):

Molecular Orbital ◽

Quantum Chemical ◽

Molecular Geometry ◽

Nbo Analysis ◽

Frontier Molecular Orbital ◽

Chemical Studies ◽

Quantum Chemical Studies

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Synthesis, spectral analysis, structural elucidation and quantum chemical studies of (E)-methyl-4-[(2-phenylhydrazono)methyl]benzoate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.02.032 ◽

2015 ◽

Vol 143 ◽

pp. 91-100 ◽

Cited By ~ 9

Author(s):

Zarife Sibel Şahin ◽

Hülya Şenöz ◽

Habibe Tezcan ◽

Orhan Büyükgüngör

Keyword(s):

Spectral Analysis ◽

Quantum Chemical ◽

Structural Elucidation ◽

Methyl Benzoate ◽

Chemical Studies ◽

Quantum Chemical Studies

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Spectroscopic (FT-IR, FT-Raman, NMR and UV–Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.04.174 ◽

2014 ◽

Vol 132 ◽

pp. 130-141 ◽

Cited By ~ 21

Author(s):

S. Suresh ◽

S. Gunasekaran ◽

S. Srinivasan

Keyword(s):

Salicylic Acid ◽

Thermodynamic Properties ◽

Quantum Chemical ◽

Molecular Geometry ◽

Frontier Molecular Orbital ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Uv Visible ◽

Ft Raman

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Spectroscopic (FT-IR, FT-Raman, and UV–visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindole

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.06.043 ◽

2014 ◽

Vol 133 ◽

pp. 626-638 ◽

Cited By ~ 9

Author(s):

Vikas K. Shukla ◽

Ebtehal S. Al-Abdullah ◽

Ali A. El-Emam ◽

Alok K. Sachan ◽

Shilendra K. Pathak ◽

...

Keyword(s):

Thermodynamic Properties ◽

Quantum Chemical ◽

Molecular Geometry ◽

Molecular Orbitals ◽

Frontier Molecular Orbitals ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Ft Ir ◽

Uv Visible ◽

Ft Raman

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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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ESR, spectroscopic, and quantum-chemical studies on the electronic structures of complexes formed by Cu(I) with radicals

Theoretical and Experimental Chemistry ◽

10.1007/bf00525301 ◽

1986 ◽

Vol 22 (1) ◽

pp. 27-33

Author(s):

N. P. Gritsan ◽

O. M. Usov ◽

N. V. Shokhirev ◽

I. V. Khmelinskii ◽

V. F. Plyusnin ◽

...

Keyword(s):

Electronic Structures ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies

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