Molecular structure, polarizability, hyperpolarizability analysis and spectroscopic characterization of 1-(chloromethyl)-2-methylnaphthalene with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Quantum Chemical ◽

Ft Ir ◽

Molecular structure analysis and spectroscopic characterization of carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations

10.1016/j.molstruc.2013.07.055 ◽

2013 ◽

Vol 1052 ◽

pp. 38-49 ◽

Cited By ~ 2

Author(s):

T. Gnanasambandan ◽

S. Gunasekaran ◽

S. Seshadri

Keyword(s):

Molecular Structure ◽

Structure Analysis ◽

Quantum Chemical ◽

Ft Ir ◽

Molecular structure analysis and spectroscopic characterization of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.01.048 ◽

2013 ◽

Vol 106 ◽

pp. 310-320 ◽

Cited By ~ 10

Author(s):

E. Isac Paulraj ◽

S. Muthu

Keyword(s):

Molecular Structure ◽

Structure Analysis ◽

Quantum Chemical ◽

Ft Ir ◽

Comment on “Molecular Structure analysis and Spectroscopic Characterization of Carbimazole with experimental (FT-IR, FT-Raman and UV–Vis) techniques and quantum chemical calculations” [J. Mol. Struct. 1052 (2013) 38–49]

10.1016/j.molstruc.2013.10.035 ◽

2014 ◽

Vol 1056-1057 ◽

pp. 216-218

Author(s):

Mauricio F. Erben

Keyword(s):

Molecular Structure ◽

Structure Analysis ◽

Quantum Chemical ◽

Ft Ir ◽

Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.02.035 ◽

2013 ◽

Vol 109 ◽

pp. 298-307 ◽

Cited By ~ 26

Author(s):

Leena Sinha ◽

Mehmet Karabacak ◽

V. Narayan ◽

Mehmet Cinar ◽

Onkar Prasad

Keyword(s):

Molecular Structure ◽

Electronic Properties ◽

Quantum Chemical ◽

Nbo Analysis ◽

Ft Ir ◽

Molecular structure analysis and spectroscopic characterization of 9-methoxy-2H-furo[3,2-g]chromen-2-one with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.08.125 ◽

2015 ◽

Vol 137 ◽

pp. 721-729 ◽

Cited By ~ 23

Author(s):

N. Swarnalatha ◽

S. Gunasekaran ◽

S. Muthu ◽

M. Nagarajan

Keyword(s):

Molecular Structure ◽

Structure Analysis ◽

Quantum Chemical ◽

Ft Ir ◽

Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

10.1016/j.molstruc.2013.10.064 ◽

2014 ◽

Vol 1058 ◽

pp. 79-96 ◽

Cited By ~ 36

Author(s):

Mehmet Karabacak ◽

Etem Kose ◽

Ahmet Atac ◽

Abdullah M. Asiri ◽

Mustafa Kurt

Keyword(s):

13C Nmr ◽

Quantum Chemical ◽

1H And 13C Nmr ◽

Ft Ir ◽

Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.06.089 ◽

2013 ◽

Vol 115 ◽

pp. 709-718 ◽

Cited By ~ 11

Author(s):

Mehmet Karabacak ◽

Sibel Bilgili ◽

Tugba Mavis ◽

Mustafa Eskici ◽

Ahmet Atac

Keyword(s):

Molecular Structure ◽

Quantum Chemical ◽

Homo And Lumo ◽

Ft Ir ◽

Molecular structure, spectroscopic characterization of (S)-2-Oxopyrrolidin-1-yl Butanamide and ab initio, DFT based quantum chemical calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.04.033 ◽

2015 ◽

Vol 149 ◽

pp. 132-142 ◽

Cited By ~ 6

Author(s):

T. Ramya ◽

S. Gunasekaran ◽

G.R. Ramkumaar

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Quantum Chemical ◽

Ab Initio Dft

Molecular Structure and Spectroscopic Characterization of Gliptus with Molecular Docking and DFT Quantum Chemical Calculations

International Journal of Advanced Science and Engineering ◽

10.29294/ijase.4.4.2018.707-725 ◽

2018 ◽

Vol 4 (4) ◽

pp. 707 ◽

Cited By ~ 1

Author(s):

R. Solaichamy ◽

J. Karpagam ◽

K. Govindarasu

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Quantum Chemical ◽

Spectroscopic Characterization

Structure analysis and spectroscopic characterization of 2-Fluoro-3-Methylpyridine-5-Boronic Acid with experimental (FT-IR, Raman, NMR and XRD) techniques and quantum chemical calculations

10.1016/j.molstruc.2015.11.041 ◽

2016 ◽

Vol 1108 ◽

pp. 103-111 ◽

Cited By ~ 10

Author(s):

Özgür Alver ◽

Gökhan Dikmen

Keyword(s):

Structure Analysis ◽

Boronic Acid ◽

Quantum Chemical ◽

Ft Ir ◽

Xrd Techniques