Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), Fukui function, antimicrobial and molecular docking study of (E)-1-(3-bromobenzylidene)semicarbazide by DFT method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.10.045 ◽

2017 ◽

Vol 1130 ◽

pp. 374-384 ◽

Cited By ~ 14

Author(s):

M. Raja ◽

R. Raj Muhamed ◽

S. Muthu ◽

M. Suresh ◽

K. Muthu

Keyword(s):

Molecular Docking ◽

Dft Method ◽

Docking Study ◽

Fukui Function ◽

Molecular Docking Study ◽

Ft Ir ◽

Uv Visible ◽

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 (FT-IR, FT-Raman), first order hyperpolarizabilities, NBO, Fukui function and molecular docking study of N-(4-Chloro-3-methylphenyl)-2-phenylacetamide

Optik ◽

10.1016/j.ijleo.2017.03.120 ◽

2017 ◽

Vol 140 ◽

pp. 1127-1142 ◽

Cited By ~ 6

Author(s):

R. Shahidha ◽

S. Muthu ◽

M. Raja ◽

R. Raj Muhamed ◽

B. Narayana ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Fukui Function ◽

Molecular Docking Study ◽

First Order ◽

Ft Ir ◽

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 ◽

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV–Visible), first order hyperpolarizability, NBO and molecular docking study of (E)-1-(4-bromobenzylidene)semicarbazide

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.09.017 ◽

2017 ◽

Vol 1128 ◽

pp. 481-492 ◽

Cited By ~ 31

Author(s):

M. Raja ◽

R. Raj Muhamed ◽

S. Muthu ◽

M. Suresh

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Molecular Docking Study ◽

First Order ◽

Ft Ir ◽

Uv Visible ◽

Spectroscopic investigation (FT-IR, FT-Raman), HOMO–LUMO, NBO analysis and molecular docking study of 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-[3-trifluoromethyl)-anilino]pyrimidine-5-carbonitrile, a potential chemotherapeutic agent

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.09.066 ◽

2015 ◽

Vol 136 ◽

pp. 520-533 ◽

Cited By ~ 7

Author(s):

Fatmah A.M. Al-Omary ◽

Asha Raj ◽

K. Raju ◽

C. Yohannan Panicker ◽

Nadia G. Haress ◽

...

Keyword(s):

Molecular Docking ◽

Chemotherapeutic Agent ◽

Docking Study ◽

Nbo Analysis ◽

Molecular Docking Study ◽

Ft Ir ◽

Homo Lumo ◽

Spectroscopic investigation (FT-IR, FT-Raman), HOMO–LUMO, NBO analysis and molecular docking study of 4-chlorophenyl quinoline-2-carboxylate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.01.089 ◽

2015 ◽

Vol 145 ◽

pp. 260-269 ◽

Cited By ~ 11

Author(s):

E. Fazal ◽

C. Yohannan Panicker ◽

Hema Tresa Varghese ◽

S. Nagarajan ◽

B.S. Sudha ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Nbo Analysis ◽

Molecular Docking Study ◽

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 ◽