H. Saleem

发表

Structural Geometry, Vibrational and Electronic Spectra Investigation on Naringin Molecule Using Experimental and Density Functional Calculations

N. Krishnakumar, S. Subashchandrabose, R. R.Suresh, 2018 .

FT-Raman and FT-IR spectra, vibrational assignments and density functional studies of 5-bromo-2-nitropyridine.

D. Michalska, N. Sundaraganesan, H. Saleem, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular Structure and Vibrational Analysis of 2-(4-methoxyphenyl)-2, 3-dihydro-1h-perimidine Using Density Functional Theory

N. R. Babu, H. Saleem, A. Nathiya, 2017 .

Synthesis, computational and spectroscopic analysis on (E)-(4-(2-(benzo[d]thiazol-2-yl)hydrazono)-3-methyl-2,6-diphenylpiperidine-1-yl)(phenyl)methanone using DFT approach.

H. Saleem, G. Sundararajan, K. Krishnasamy, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational Spectral Analysis and First Order Hyperpolarizability Calculations On (e)-n′-(furan-2-yl Methylene) Nicotinohydrazide

S. Bharanidharan, S. Subashchandrabose, H. Saleem, 2016 .

Spectroscopic (FT-IR, FT-Raman) and quantum mechanical studies of 3t-pentyl-2r,6c-diphenylpiperidin-4-one thiosemicarbazone.

S. Bharanidharan, V. Thanikachalam, G. Rajarajan, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational, Ultra Violet, Natural Bond Orbital Analysis of E-1 Using Quantum Mechanical Computations and Experimental Spectra.

S.Srinivasan, D.Usha, H. Saleem, 2014 .

Structural and vibrational studies on 1-(5-methyl-[1,3,4] thiadiazol-2-yl)-pyrolidin-2-ol.

S. Bharanidharan, S. Subashchandrabose, H. Saleem, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis and Structural Characterization of 2-Hydroxy-5- (Phenyldiazenyl) Benzaldehyde Oxime - A Theoretical Approach

S. Bharanidharan, H. Saleem, A. Arokiasamy, 2016 .

Pharmacophore based virtual screening, molecular docking and density functional theory approaches to discover the potent beta-amyloid precursor protein (B-APP) inhibitor

N. Sundaraganesan, H. Saleem, G. Shakila, 2019, 7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019).

FT-IR, FT-Raman, NMR and U-V Spectral investigation: Computation of vibrational frequency, chemical shifts and electronic structure calculations of 1-bromo-4-nitrobenzene

N. Sundaraganesan, H. Saleem, G. Shakila, 2017 .

Synthesis and vibrational spectral (FT-IR, FT-Raman) studies, NLO properties & NBO analysis of (E)-N'(thiophen-2yl methylene)isonicotinohydrazide using quantum chemical method

H. Saleem, B. Bharani, A. Nathiya, 2018 .

Density functional theory studies on 2,5-bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone

V. Thanikachalam, S. Subashchandrabose, H. Saleem, 2011 .

Structural and Vibrational Analysis of (E)-N’-(Pyridin-2-yl)Methylene)Nicotinohydrazide Using Quantum Chemical Calculation

S. Bharanidharan, H. Saleem, A. Nathiya, 2015, International Letters of Chemistry, Physics and Astronomy.

Experimental and theoretical vibrational spectroscopic and HOMO, LUMO studies of 1,3-dimethylbarbituric acid

N. Sundaraganesan, S. Sebastian, H. Saleem, 2009 .

Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.

S. Subashchandrabose, N. Sundaraganesan, H. Saleem, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, crystal structure, spectroscopic, quantum chemical investigation, molecular docking and ADMET prediction of 2(E)-3-(anthracen-9-yl)-1-(1-methyl-1H-pyrrol-2-yl) prop-2-en-1-one

H. Saleem, S. Srinivasan, Towseef Ahmad Hajam, 2022, Results in Chemistry.

Synthesis, spectroscopic investigation and computational study of 3-(1-(((methoxycarbonyl)oxy)imino)ethyl)-2H-chromen-2-one.

V. Thanikachalam, H. Saleem, K. G. Krishnan, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic Studies (FT-IR, FT-Raman and UV-Vis), NBO Analysis, HOMO-LUMO, First Order Hyperpolarizability and Docking Studies of 4-[4-(Bromo-Phenylimino)-Methyl]-2-Ethoxy Phenol

H. Saleem, T. Hajam, M. Syed Ali Padusha, 2021, Polycyclic Aromatic Compounds.

Quantum Mechanical Study, Spectroscopic (FT-IR, FT-Raman and UV-Vis) Study, NBO, NLO Analysis and Molecular Docking Studies of 2-Ethoxy-4-(Pyridine-2yliminomethyl)-Phenol

H. Saleem, T. Hajam, K. K. Mohammed Ameen, 2021, Polycyclic Aromatic Compounds.

Synthesis, quantum chemical calculations and molecular docking studies of 2-ethoxy-4[(2-trifluromethyl-phenylimino)methyl]phenol

H. Saleem, T. Hajam, K. K. Mohammed Ameen, 2020 .

Synthesis and spectral characterization of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane.

V. Thanikachalam, S. Subashchandrabose, H. Saleem, 2016, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational and conformational analysis on-N1-N2-bis((pyridine-4-yl)methylene) benzene-1,2-diamine

S. Subashchandrabose, H. Saleem, Y. Erdoğdu, 2013 .

Synthesis, spectroscopic (FT-IR, FT-Raman, UV and NMR) and computational studies on 3t-pentyl-2r,6c-diphenylpiperidin-4-one semicarbazone.

V. Thanikachalam, G. Rajarajan, S. Savithiri, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-Raman, FT-IR spectra and total energy distribution of 3-pentyl-2,6-diphenylpiperidin-4-one: DFT method.

V. Thanikachalam, G. Rajarajan, S. Subashchandrabose, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, FT-Raman spectra and scaled quantum mechanical study of 4-amino-1-benzylpiperidine

S. Subashchandrabose, H. Saleem, Y. Erdoğdu, 2011 .

Synthesis and spectral characterization of hydrazone derivative of furfural using experimental and DFT methods.

S. Subashchandrabose, H. Saleem, Y. Erdoğdu, 2014, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural, vibrational and hyperpolarizability calculation of (E)-2-(2-hydroxybenzylideneamino)-3-methylbutanoic acid.

J. Jayabharathi, V. Thanikachalam, S. Subashchandrabose, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopy investigation and density functional theory calculations on (E)-N'-(4-methoxybenzylidene) benzohydrazide.

S. Subashchandrabose, H. Saleem, N. Ramesh Babu, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method.

N. Sundaraganesan, S. Sebastian, H. Saleem, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectroscopic study and NBO analysis on bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane using DFT method.

V. Thanikachalam, S. Subashchandrabose, N. Sundaraganesan, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, FT-Raman and UV-Visible Spectral Analysis on (E)-Nâ²-(thiophen-2-ylmethylene) Nicotinohydrazide

S. Bharanidharan, N. Rameshbabu, H. Saleem, 2017 .

Structural and vibrational studies on (E)-2-(2-hydroxy benzyliden amino)-3-phenyl propionic acid using experimental and DFT methods

J. Jayabharathi, V. Thanikachalam, S. Subashchandrabose, 2012 .

Experimental (FTIR and FT-Raman) and ab initio and DFT study of vibrational frequencies of 5-amino-2-nitrobenzoic acid.

N. Sundaraganesan, H. Saleem, M. Ramalingam, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-bromo-4-methyl-phenylamine.

V. Sethuraman, N. Sundaraganesan, H. Saleem, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis and comparison of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)butane using DFT study

V. Thanikachalam, S. Subashchandrabose, H. Saleem, 2011 .

Vibrational spectra, assignments and normal coordinate analysis of 2-amino-5-bromopyridine.

N. Sundaraganesan, H. Saleem, S. Mohan, 2003, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis and spectroscopical study of rhodanine derivative using DFT approaches.

R. Anbarasan, A. Dhandapani, S. Manivarman, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

VIBRATIONAL DYNAMICS AND POTENTIAL ENERGY DISTRIBUTION OF TWO WELL-KNOWN NEUROTRANSMITTER RECEPTORS: TYRAMINE AND DOPAMINE HYDROCHLORIDE

N. Misra, T. Hasan, P. Singh, 2009 .

Synthesis, spectral characterization and density functional theory exploration of 1-(quinolin-3-yl)piperidin-2-ol.

S. Bharanidharan, A. Dhandapani, S. Manivarman, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, spectral characterization, single crystal and conformational study of 1,5-dimethyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one derivatives

H. Saleem, K. Krishnasamy, R. Venkateswaramoorthi, 2012 .

Calculated electronic, transport, and bulk properties of zinc-blende zinc sulphide (zb-ZnS)

H. Saleem, Y. Malozovsky, Lashounda Franklin, 2016 .

FT-Raman and FTIR spectra, assignments and ab initio calculations of 2-aminobenzyl alcohol.

N. Sundaraganesan, H. Saleem, S. Mohan, 2005, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectra, assignments and normal coordinate analysis of 3-aminobenzyl alcohol.

N. Sundaraganesan, H. Saleem, S. Mohan, 2003, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, spectral characterization, single crystal X-ray diffraction and DFT studies of 4-((2,4,5-triphenyl-1H-imidazol-1-yl)methyl)pyridine derivatives

S. Bharanidharan, H. Saleem, K. Krishnasamy, 2015 .

FT-IR and FT-Raman vibrational assignment of 2-bromobenzoic acid with the help of ab initio and DFT calculations.

V. Sethuraman, H. Saleem, M. Ramalingam, 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, FT-Raman, NMR spectral analysis and theoretical NBO, HOMO–LUMO analysis of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)ethane by ab initio HF and DFT methods

V. Thanikachalam, S. Subashchandrabose, H. Saleem, 2010 .

Vibrational studies on (E)-1-((pyridine-2-yl)methylene)semicarbazide using experimental and theoretical method

S. Subashchandrabose, H. Saleem, M. Padusha, 2015 .

The spectroscopic FT-IR gas phase, FT-IR, FT-Raman, polarizabilities analysis of Naphthoic acid by density functional methods.

N. Sundaraganesan, S. Sebastian, H. Saleem, 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FTIR, FT-Raman spectra and ab initio DFT vibrational analysis of 2-amino-5-chloropyridine.

B. Anand, N. Sundaraganesan, B. D. Joshua, 2006, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure determination, spectroscopic, quantum computational studies and molecular docking of 4-(E)-[2-(benzylamino)phenylimino) methyl-2]ethoxy phenol

H. Saleem, F. M. Mashood Ahamed, M. Syed Ali Padusha, 2022, Journal of biomolecular structure & dynamics.

Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 5-amino-o-cresol.

N. Sundaraganesan, B. D. Joshua, H. Saleem, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, FT-Raman spectral and conformational studies on (E)-2-(2-hydroxybenzylidenamino)-3-(1H-indol-3yl) propionic acid.

J. Jayabharathi, V. Thanikachalam, S. Subashchandrabose, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis and structural characterization of (E)-N′-((Pyridin-2-yl)methylene) benzohydrazide by X-ray diffraction, FT-IR, FT-Raman and DFT methods

S. Subashchandrabose, V. Manivannan, H. Saleem, 2014 .

Spectroscopic and Computational Analysis of 4-Methoxythioanisole

S. Subashchandrabose, H. Saleem, D. Nandhini, 2020 .

Crystal structure of ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

S. Bharanidharan, B. Gunasekaran, H. Saleem, 2014, Acta crystallographica. Section E, Structure reports online.

Vibrational spectra and assignments of 3-aminobenzyl alcohol by ab initio Hartree-Fock and density functional method.

B. Anand, N. Sundaraganesan, B. D. Joshua, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis and Crystal Structure of Ethyl6-(chloromethyl)-4-(3-Chlorophenyl)-2-oxo-1,2,3,4-Tetrahydropyrimidine-5-Carboxylate

S. Bharanidharan, B. Gunasekaran, H. Saleem, 2015 .

FT-Raman, FT-IR spectral and DFT studies on (E)-1-4-nitrobenzylidenethiocarbonohydrazide.

J. Jayabharathi, V. Thanikachalam, S. Subashchandrabose, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.