Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO, MEP, NBO analysis and molecular docking study of ethyl-6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.11.012 ◽

2015 ◽

Vol 138 ◽

pp. 73-84 ◽

Cited By ~ 11

Author(s):

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

M. Sapnakumari ◽

B. Narayana ◽

B.K. Sarojini ◽

...

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Docking Study ◽

Nbo Analysis ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-hydroxy-4,5,8-tris(4-methoxyphenyl) anthraquinone

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2015.07.024 ◽

2015 ◽

Vol 87 ◽

pp. 110-121 ◽

Cited By ~ 9

Author(s):

R. Renjith ◽

Y. Sheena Mary ◽

Hema Tresa Varghese ◽

C. Yohannan Panicker ◽

Thies Thiemann ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Homo Lumo ◽

Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO, NBO, MEP analysis and molecular docking study of 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-(phenylsulfanyl)-pyrimidine-5-carbonitrile, a potential chemotherapeutic agent

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.12.043 ◽

2015 ◽

Vol 139 ◽

pp. 413-424 ◽

Cited By ~ 8

Author(s):

Nourah Z. Alzoman ◽

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

Ibrahim A. Al-Swaidan ◽

Ali A. El-Emam ◽

...

Keyword(s):

Molecular Docking ◽

Chemotherapeutic Agent ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Homo Lumo ◽

Spectroscopic investigation (FT-IR, FT-Raman and SERS), vibrational assignments, HOMO–LUMO analysis and molecular docking study of Opipramol

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.08.106 ◽

2015 ◽

Vol 137 ◽

pp. 547-559 ◽

Cited By ~ 9

Author(s):

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

C.N. Kavitha ◽

H.S. Yathirajan ◽

M.S. Siddegowda ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Homo Lumo ◽

Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO, NBO, MEP analysis and molecular docking study of 2-(4-hydroxyphenyl)-4,5-dimethyl-1H-imidazole 3-oxide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.03.063 ◽

2015 ◽

Vol 146 ◽

pp. 307-322 ◽

Cited By ~ 22

Author(s):

K.B. Benzon ◽

Hema Tresa Varghese ◽

C. Yohannan Panicker ◽

Kiran Pradhan ◽

Bipransh Kumar Tiwary ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Homo Lumo ◽

Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO analysis and molecular docking study of 2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.07.077 ◽

2015 ◽

Vol 135 ◽

pp. 973-983 ◽

Cited By ~ 25

Author(s):

Nadia G. Haress ◽

Fatmah Al-Omary ◽

Ali A. El-Emam ◽

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Ft Ir ◽

Homo Lumo ◽

FT-IR, HOMO–LUMO, NBO, MEP analysis and molecular docking study of 3-Methyl-4-{(E)-[4-(methylsulfanyl)-benzylidene]amino}1H-1,2,4-triazole-5(4H)-thione

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.06.076 ◽

2015 ◽

Vol 151 ◽

pp. 198-207 ◽

Cited By ~ 20

Author(s):

C. Yohannan Panicker ◽

Hema Tresa Varghese ◽

P.S. Manjula ◽

B.K. Sarojini ◽

B. Narayana ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Ft Ir ◽

FT-IR, NBO, HOMO–LUMO, MEP analysis and molecular docking study of Methyl N-({[2-(2-methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino}[(methoxycarbonyl) imino]methyl)carbamate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.03.064 ◽

2015 ◽

Vol 148 ◽

pp. 29-42 ◽

Cited By ~ 13

Author(s):

C. Yohannan Panicker ◽

Hema Tresa Varghese ◽

B. Narayana ◽

K. Divya ◽

B.K. Sarojini ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Ft Ir ◽

FT-IR, NBO, HOMO–LUMO, MEP analysis and molecular docking study of 1-[3-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.09.061 ◽

2015 ◽

Vol 136 ◽

pp. 483-493 ◽

Cited By ~ 27

Author(s):

Y. Sheena Mary ◽

C. Yohannan Panicker ◽

M. Sapnakumari ◽

B. Narayana ◽

B.K. Sarojini ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Ft Ir ◽

FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.12.064 ◽

2015 ◽

Vol 140 ◽

pp. 1-14 ◽

Cited By ~ 10

Author(s):

Maha S. Almutairi ◽

Amer M. Alanazi ◽

Ebtehal S. Al-Abdullah ◽

Ali A. El-Emam ◽

Shilendra K. Pathak ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

Vibrational Assignments ◽

Raman Spectroscopic ◽

Ft Ir ◽

Spectroscopic Signatures ◽