I. Joe

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Vibrational spectral studies on charge transfer and ionic hydrogen‐bonding interactions of nonlinear optical material L‐arginine nitrate hemihydrate

C. R. Nair, T. Vijayakumar, I. Joe, 2009 .

Vibrational spectral studies and the non-linear optical properties of a novel NLO materialL-prolinium tartrate

C. R. Nair, T. Vijayakumar, I. Joe, 2006 .

Spectroscopic Investigations, DFT Calculations, and Molecular Docking Studies of the Anticonvulsant (2E)-2-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]-N-(4-methylphenyl)hydrazinecarboxamide

I. Joe, Reem I. Al-Wabli, D. Manimaran, 2016 .

Vibrational spectral investigations and density functional theory study of 4-Formylbenzoic acid.

Satendra Kumar, M. A. Palafox, V. Rastogi, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic, quantum mechanical and docking studies on organochlorine insecticides by density functional theory

Nimmy L. John, I. Joe, L. Anju, 2020 .

Vibrational spectroscopic studies on the natural product, columbianadin.

O. Nielsen, I. Joe, V. S. Jayakumar, 2003, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural conformation and vibrational spectroscopic studies of 2,6‐bis(p‐N,N‐dimethyl benzylidene)cyclohexanone using density functional theory

A. A. Raj, I. Joe, V. S. Jayakumar, 2006 .

FT-Raman and FTIR spectra, normal coordinate analysis and ab initio computations of (2-methylphenoxy)acetic acid dimer

R. Kesavamoorthy, C. Ravikumar, I. Joe, 2008 .

DFT and Vibrational Spectroscopic Study on 3-alkyl-4-amino-6-aryl-1, 2, 4-triazin-5-one Herbicide

S. Balachandran, I. Joe, S.D.D. Roy, 2015 .

Molecular structure, vibrational spectra and nonlinear optical properties of l-Valine Hydrobromide: DFT study

I. Joe, M. Amalanathan, V. Rastogi, 2011 .

Molecular first order hyperpolarizability and vibrational spectral investigation of Warfarin sodium

I. Kostova, I. Joe, M. Amalanathan, 2010 .

FT-IR, Raman, and SERS Spectra of Arcaine Sulfate

I. Joe, A. Eapen, G. Aruldhas, 1997 .

Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of p-amino acetanilide.

D. Sajan, I. Joe, V. S. Jayakumar, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural conformations and electronic interactions of the natural product, oroxylin: a vibrational spectroscopic study

D. Sajan, I. Joe, V. S. Jayakumar, 2008 .

Surface enhanced Raman spectra of the organic nonlinear optic material: Methyl 3-(4-methoxy phenyl)prop-2-enoate

D. Sajan, I. Joe, V. S. Jayakumar, 2008 .

Molecular structure, vibrational spectra and first-order molecular hyperpolarizabilities of potential anti-cancer drug, combretastatin-A1

O. Nielsen, J. Aubard, D. Sajan, 2008 .

Surface-enhanced Raman scattering of methyl p-hydroxy benzoate: A molecular orientational study

D. Sajan, I. Joe, V. S. Jayakumar, 2007 .

Surface-enhanced Raman scattering and the adsorption behavior of (RS)-phenylsuccinic acid.

A. Fischer, D. Sajan, I. Joe, 2006, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Biological applications and spectroscopic investigations of 4-nitrophenol-urea dimer: A DFT approach

T. Beaula, I. Joe, V. Rastogi, 2016 .

Vibrational spectra and potential energy distributions for 1-benzyl-1H-imidazole by normal coordinate analysis

C. Ravikumar, I. Joe, V. S. Jayakumar, 2009 .

Natural bond orbital analysis and vibrational spectroscopic studies of H-bonded N,N′-diphenylguanidinium nitrate

I. Joe, V. S. Jayakumar, C. James, 2007 .

FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: vigabatrin.

I. Joe, Bismi Edwin, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

NIR-FT Raman and FT-IR spectral investigations of the nonlinear optical chromophorep-bromoacetanilide

T. Vijayakumar, I. Joe, V. S. Jayakumar, 2007 .

Intramolecular charge delocalization and nonlinear optical properties of Methyl 3-(4-methoxy phenyl) prop-2-enoate from vibrational spectra

D. Sajan, I. Joe, V. S. Jayakumar, 2005 .

Vibrational spectra and ab initio molecular orbital calculations of the novel anti-cancer drug combretastatin A-4 prodrug.

O. Nielsen, G. Pettit, I. Joe, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT‐Raman, IR and UV‐visible spectral investigations and ab initio computations of a nonlinear food dye amaranth

C. Ravikumar, N. Sekar, I. Joe, 2008 .

NLO‐Phoric Emissive Quinoxaline Analog of Quinoline Yellow 54 and Z‐Scan Studies

N. Sekar, I. Joe, Manali Rajeshirke, 2019, ChemistrySelect.

Vibrational spectral analysis of anti-neurodegenerative drug Levodopa: A DFT study

I. Joe, Bismi Edwin, 2013 .

Intramolecular charge transfer and Z-scan studies of a semiorganic nonlinear optical material sodium acid phthalate hemihydrate: a vibrational spectroscopic study.

N. Vijayan, R. Philip, D. Sajan, 2011, The journal of physical chemistry. A.

Electronic and structural effects on the nonlinear optical behavior in π-conjugated structure bis(4-nitrophenyl) carbonate: a vibrational spectroscopic approach

C. Ravikumar, I. Joe, Miss Pillai Indu Ramachandra, 2011 .

Vibrational spectra and DFT study of anticancer active molecule 2-(4-Bromophenyl)-1H-benzimidazole by normal coordinate analysis.

T. Xavier, I. Joe, N. Rashid, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectra and structural studies of nonlinear optical crystal ammonium D, L‐tartrate: a density functional theoretical approach

C. Ravikumar, S. Vidya, P. Kumaradhas, 2011 .

Charge transfer interaction and nonlinear optical properties of barium chloride and thiourea complexes: a vibrational spectroscopic study

I. Němec, C. Ravikumar, M. Kumari, 2011 .

Nonplanar property study of antifungal agent tolnaftate-spectroscopic approach.

S. Balachandran, I. Joe, D. Dhas, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Vibrational spectra and first-order molecular hyperpolarizabilities of p-hydroxybenzaldehyde dimer

D. Sajan, I. Joe, Y. Erdoğdu, 2010 .

Vibrational contributions to the second-order nonlinear optical properties of π-conjugated structure acetoacetanilide

C. Ravikumar, D. Sajan, I. Joe, 2010 .

Electron–phonon coupling and vibrational modes contributing to linear electro‐optic effect of the efficient NLO chromophore 4‐(N,N‐dimethylamino)‐N‐methyl‐4′‐toluene sulfonate (DAST) from their vibrational spectra

C. R. Nair, M. Jazbinsek, T. Vijayakumar, 2009 .

Density functional study on the structural conformations and intramolecular charge transfer from the vibrational spectra of the anticancer drug combretastatin‐A2

C. Ravikumar, O. Nielsen, D. Sajan, 2009 .

Vibrational spectra and scaled quantum chemical studies of the structure of Martius yellow sodium salt monohydrate

C. Ravikumar, I. Joe, V. S. Jayakumar, 2009 .

Azure A chloride: computational and spectroscopic study

C. Ravikumar, I. Joe, V. S. Jayakumar, 2009 .

NIR-FT Raman, FT-IR and surface-enhanced Raman scattering spectra, with theoretical simulations on chloramphenicol

M. Manfait, G. Sockalingum, D. Sajan, 2008 .

Quantum chemical computations and Fourier transform infrared spectral studies of a nonlinear food dye E110.

N. Sekar, I. Joe, V. S. Jayakumar, 2008, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic, DFT and Z-scan approach to study linear and nonlinear optical properties of Disperse Red 277

N. Sekar, I. Joe, M. Sreenath, 2020 .

Non-Linear Optical Properties of Disperse Blue 354 and Disperse Blue183 by DFT and Z-Scan Technique

N. Sekar, I. Joe, M. Sreenath, 2019 .

Excitation energy transfer processes in BODIPY based donor-acceptor system - Synthesis, photophysics, NLO and DFT study

N. Sekar, I. Joe, Ramnath R. Mallah, 2018, Optical Materials.

Triphenylamine Derived 3-Acetyl and 3-Benzothiazolyl Bis and Tris Coumarins: Synthesis, Photophysical and DFT Assisted Hyperpolarizability Study

N. Sekar, I. Joe, S. Kothavale, 2018, Journal of Electronic Materials.

Spectroscopic, DFT and Z-scan supported investigation of dicyanoisophorone based push-pull NLOphoric styryl dyes

N. Sekar, I. Joe, M. Sreenath, 2017 .

NLOphoric multichromophoric auxiliary methoxy aided triphenylamine D-π-A chromophores – Spectroscopic and computational studies

N. Sekar, I. Joe, S. Kothavale, 2017 .

Non-linear optical study of BODIPY-benzimidazole conjugate by solvatochromic, Z-scan and theoretical methods

N. Sekar, I. Joe, M. Sreenath, 2017 .

NIR‐FT Raman, FT‐IR and surface‐enhanced Raman scattering spectra of organic nonlinear optic material: p‐hydroxy acetophenone

D. Sajan, I. Joe, V. S. Jayakumar, 2006 .

NLOphoric imidazole-fused fluorescent anthraquinone dyes.

N. Sekar, I. Joe, M. Sreenath, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FTIR Study of High Temperature Phase Formation In Sol-Gel Aluminium Titanate

A. K. Vasudevan, K. Warrier, A. D. Damodaran, 2000 .

Structural, spectroscopic and O–H⋯O hydrogen bonding interaction on monomer and dimer form of hydroxy phenoxy acetic acid derivatives by experimental and computational techniques

S. Balachandran, I. Joe, D. Aruldhas, 2020 .

NLOphoric Azo Dyes Studied Using Z‐Scan

Chaitannya W. Ghanavatkar, N. Sekar, I. Joe, 2022, ChemistrySelect.

Coherent source interaction, third-order nonlinear response of synthesized PEG coated magnetite nanoparticles in polyethylene glycol and its application

I. Joe, S. Gopal, S. Chitrambalam, 2018 .

Investigation of structural, optical and electrical properties of ZnS thin films prepared by nebulized spray pyrolysis for solar cell applications

I. Joe, S. Valanarasu, Deva Arun Kumar Karuppiah, 2018, Optical and Quantum Electronics.

Structure and Nonlinear Optical Properties Study of 2-amino-5-chlorobenzophenone: A Spectroscopic Approach

I. Joe, Manimaran D, C. John, 2016 .

Efficient π-electron conjugated push-pull nonlinear optical chromophore 1-(4-methoxyphenyl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one: A vibrational spectral study

I. Němec, S. Dharmaprakash, D. Sajan, 2009 .

Dimerisation and vibrational spectroscopic properties of (RS)‐phenylsuccinic acid

A. Fischer, D. Sajan, I. Joe, 2006 .

Vibrational Spectra and Density functional calculation of Organic Nonlinear Optic Crystal p-Amino Acetanilide

I. Joe, V. S. Jayakumar, D. Saja, 2006 .

Vibrational spectra and density functional theoretical calculations on the antitumor drug, plumbagin

D. Sajan, I. Joe, V. S. Jayakumar, 2005 .

Vibrational spectral studies of methyl 3‐(4‐methoxyphenyl)prop‐2‐enoate, a new organic non‐linear optic crystal

D. Sajan, I. Joe, V. S. Jayakumar, 2005 .

Vibrational spectra and phase transition in triglycine sulpho‐phosphate

P. Ramasamy, I. Joe, S. Anbukumar, 1994 .

DFT computations and spectroscopic analysis of a pesticide: chlorothalonil.

I. Joe, D. Dhas, T. Freeda, 2010, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Enhancement of NLO Properties in OBO Fluorophores Derived from Carbazole–Coumarin Chalcones Containing Carboxylic Acid at the N-Alykl Terminal End

N. Sekar, I. Joe, Manali Rajeshirke, 2018, The Journal of Physical Chemistry C.

Bio-activity of superparamagnetic maghemite nanorods capped with dl-alanine

I. Joe, S. Gopal, 2017 .

Synthesis and Characterization of PMMA Adherent ZnS thin Films by Spin Coating Method

I. Joe, C. Sabitha, 2015 .

Vibrational spectra and ab initio computations of sarcosinium oxalate monohydrate

T. Vijayakumar, D. Sajan, I. Joe, 2006 .

Linear and NLO Properties of Functional Group and Position Isomers of Azo and Azomethine: Comparative Photophysical‐Electrochemical Properties, Z‐Scan and DFT Studies

Chaitannya W. Ghanavatkar, Virendra R. Mishra, N. Sekar, 2020 .

Spectroscopic (FT-IR, FT-Raman) investigation, topological (QTAIM, RDG, ELF) analysis, drug-likeness and anti-inflammatory activity study on 2-methylaminobenzoic acid alkaloid

S. Balachandran, I. Joe, D. Dhas, 2022, Journal of Molecular Structure.

Molecular Structure and Spectroscopic Exploration of Antiviral Drug Docosanol: a Combined Experimental and DFT Study

I. Joe, S. Nisha, 2022, Brazilian Journal of Physics.

Structural, Spectroscopic, Quantum Chemical, RDG, AIM, ELF, Fukui, O–H…N Hydrogen Bonding and NLO Activity of 2-Hydroxy-2-Phenyl Acetophenone Oxime: Experimental and Theoretical Approach

S. Balachandran, I. Joe, D. Dhas, 2023, Polycyclic Aromatic Compounds.

Exploration of Non Covalent Interactions, Structural, Vibrational, Chemical Reactivity and NLO Properties of 1, 2-Diphenyl-2-Methoxyethanone Oxime: A Theoretical Approach

I. Joe, D. Dhas, Y. Samson, 2022, Polycyclic Aromatic Compounds.

STRUCTURAL INSIGHTS, SPECTRAL, FLOURESCENCE, Z-SCAN, C-H…O/N-H…O HYDROGEN BONDING AND AIM, RDG, ELF, LOL, FUKUI ANALYSIS, NLO ACTIVITY OF N-2(METHOXY PHENYL) ACETAMIDE

S. Balachandran, G. Vinitha, I. Joe, 2022, Journal of Molecular Structure.

The effect of electron charge transfer in biological activity and vibrational wavenumbers of 2′-Deoxyuridine and 5-Fluoro-2′-Deoxyuridine: DFT approach

T. Xavier, I. Joe, 2011 .

(2E)-2-[1-(1,3-Benzodioxol-5-yl)-3-(1H-imidazol-1-yl)propylidene]-N-(4-methoxyphenyl)hydrazinecarboxamide: Synthesis, crystal structure, vibrational analysis, DFT computations, molecular docking and antifungal activity

H. Ghabbour, I. Joe, M. Al-agamy, 2018 .

Molecular docking, structural characterization, DFT and cytotoxicity studies of metal(II) Schiff base complexes derived from thiophene-2-carboxaldehyde and l-histidine

I. Joe, Liji John, A. Dasan, 2019 .

Synthesis, spectral characterization, DFT, and molecular docking studies of metal(II) complexes derived from thiophene-2-carboxaldehyde and 2-amino-6-picoline

I. Joe, Liji John, R. S. Joseyphus, 2019, Journal of Coordination Chemistry.

Vibrational analysis and Y-aromaticity in bis (N,N′-diphenyl guanidinium) oxalate crystal: A DFT study

I. Joe, V. S. Jayakumar, C. James, 2006 .

Biomedical application studies of Schiff base metal complexes containing pyridine moiety: molecular docking and a DFT approach

I. Joe, Liji John, R. S. Joseyphus, 2020, SN Applied Sciences.

IR and single crystal Raman spectra of langbeinities M2 Ni2(SO4)3 (M = NH4, K)

I. Joe, V. S. Jayakumar, G. Aruldhas, 1995 .

NLO properties of 1, 4-naphthoquinone, Juglone and Lawsone by DFT and Z-scan technique – A detailed study

N. Sekar, I. Joe, P. Mande, 2017 .

Synthesis, spectroscopic investigations, DFT studies, molecular docking and antimicrobial potential of certain new indole-isatin molecular hybrids: Experimental and theoretical approaches

I. Joe, Reem I. Al-Wabli, M. Attia, 2018 .

Spectroscopic identification, structural features, Hirshfeld surface analysis and molecular docking studies on stiripentol: An orphan antiepileptic drug

H. Ghabbour, I. Joe, M. I. Attia, 2019, Journal of Molecular Structure.

Charge transfer interactions and nonlinear optical properties of push–pull chromophore benzaldehyde phenylhydrazone: A vibrational approach

C. Ravikumar, I. Joe, V. S. Jayakumar, 2008 .

Molecular structure, vibrational spectra and density functional theory of the spiro-conjugated anticancer active molecule rubrocurcumin

S. Balachandran, I. Joe, D. Aruldhas, 2019, Spectroscopy Letters.

Theoretical and vibrational spectral investigation of sodium salt of acenocoumarol

C. Ravikumar, I. Kostova, I. Joe, 2009 .

Infrared and Raman spectra, vibrational assignment, NBO analysis and DFT calculations of 6-aminoflavone

O. Unsalan, I. Joe, M. Amalanathan, 2010 .

FT-IR and Raman spectroscopic and DFT studies of anti-cancer active molecule N-{(meta-ferrocenyl) Benzoyl} - l-alanine - glycine ethyl ester.

T. Xavier, I. Joe, P. T. Kenny, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular Structure, Spectroscopic Elucidation (FT-IR, FT-Raman, UV-Visible and NMR) with NBO, ELF, LOL, RDG, Fukui, Drug Likeness and Molecular Docking Analysis on Dimethomorph

S. Balachandran, I. Joe, D. Dhas, 2022, Polycyclic Aromatic Compounds.

SPECTROSCOPIC AND QUANTUM CHEMICAL COMPUTATION ON MOLECULAR STRUCTURE, AIM, ELF, RDG, NCI, AND NLO ACTIVITY OF 4-VINYL BENZOIC ACID: A DFT APPROACH

S. Balachandran, I. Joe, D. Aruldhas, 2021, Journal of Molecular Structure.

Spectroscopic, quantum chemical, QTAIM analysis, molecular dynamics simulation, docking studies and solvent effect of pyridin-2-yl oxyacetic acid herbicide and its derivatives

I. Joe, D. Aruldhas, A. R. Anuf, 2020 .

Density functional theory calculation and vibrational spectral analysis of 4‐hydroxy‐3‐(3‐oxo‐1‐phenylbutyl)‐2H‐1‐benzopyran‐2‐one

I. Kostova, I. Joe, M. Amalanathan, 2010 .

Charge transfer interaction and terahertz studies of a nonlinear optical material L-glutamine picrate: A DFT study.

I. Joe, M. Amalanathan, S. S. Prabhu, 2010, The journal of physical chemistry. A.

Changes in the vibrational spectral modes by the nonbonded interactions in the NLO crystal vanillin

I. Joe, V. S. Jayakumar, J. Binoy, 2005 .

Vibrational spectra of α‐CaNa2P2O7 · 4H2O, CaNH4NaP2O7 · 3H2O and CdNH4NaP2O7 · 3H2O

G. Keresztury, I. Joe, G. Aruldhas, 1991 .

Synthesis, crystal structure, vibrational profiling, DFT studies and molecular docking of N-(4-chloro-2-{[2-(1H-indol-2-ylcarbonyl) hydrazinyl](oxo)acetyl}phenyl)acetamide.DMSO: A new antiproliferative agent

V. Shyni, A. Salman, H. Ghabbour, 2018 .

Chemical reactivity, molecular electrostatic potential and in-silico analysis on benzimidazole fungicide benomyl

I. Joe, D. Aruldhas, G. Mol, 2022, Heliyon.

Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitrobenzoic acid).

M. A. Palafox, V. Rastogi, I. Joe, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR and polarized Raman spectra of N(CH3)4H2PO4.H2O

I. Joe, V. S. Jayakumar, G. Aruldhas, 1995 .

Non-bonded interactions and its contribution to the NLO activity of Glycine Sodium Nitrate – A vibrational approach

C. R. Nair, T. Vijayakumar, I. Joe, 2008 .

Vibrational and SERS Spectra of Spermine Phosphate Hexahydrate

Antony Eapen, I. Hubert Joe, G. Aruldhas, 1997 .

Investigation of structural, optical and electrical properties of ZnS thin films prepared by nebulized spray pyrolysis for solar cell applications

I. Joe, S. Valanarasu, Deva Arun Kumar Karuppiah, 2018, Optical and Quantum Electronics.

Raman and IR spectra of β‐alanine and sarcosine monophosphates

D. Philip, I. Joe, I. Botto, 1991 .

Design, Synthesis and Vibrational Spectroscopic Studies of the Nonlinear Optical Crystal l-histidine Potassium Chloride☆

I. Joe, D. Manimaran, V. B. Jothy, 2015 .

Vibrational spectra and first order hyperpolarizability studies of dimethyl amino pyridinium 4-nitrophenolate 4-nitrophenol.

I. Joe, M. Amalanathan, P. Srinivasan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Third-order optical nonlinearities of 1,5-Diaminoanthraquinone for optical limiting application

V. Rastogi, I. Joe, M. Sreenath, 2018, Optics & Laser Technology.

Intramolecular charge transfer and hydrogen bonding interactions of nonlinear optical material N-benzoyl glycine: Vibrational spectral study

H. J. Ravindra, N. Misra, D. Sajan, 2010 .

Synthesis and electronic structure studies of a novel nonlinear optical crystal L-leucinium squarate monohydrate: A spectroscopic view

I. Joe, S. Roy, Meera J. Nath, 2018, Journal of Physics and Chemistry of Solids.

Density functional theory studies on molecular structure and vibrational spectra of NLO crystal l-phenylalanine phenylalanium nitrate for THz application

I. Joe, M. Amalanathan, V. K. Rastogi, 2011 .

Z-scan and DFT approach for investigating the NLO properties of imidazole fused anthraquinone dyes

Chaitannya W. Ghanavatkar, N. Sekar, I. Joe, 2020 .

Spectroscopic characterization and structural insights of 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione using vibrational, optical, electronic spectra, reduced density gradient and quantum chemical calculations

S. Balachandran, I. Joe, D. Aruldhas, 2020 .

Efficient π electrons delocalization in prospective push–pull non-linear optical chromophore 4-[N,N-dimethylamino]-4′-nitro stilbene (DANS): A vibrational spectroscopic study

C. R. Nair, T. Vijayakumar, I. Joe, 2008 .

Spectroscopic investigation and hydrogen-bonding analysis of triazinones

S. Balachandran, I. Joe, D. Dhas, 2012, Journal of Molecular Modeling.

FTIR as a tool to study high-temperature phase formation in sol-gel aluminium titanate

A. K. Vasudevan, K. Warrier, A. D. Damodaran, 1997 .

Density functional theory calculations, vibration spectral analysis and molecular docking of the antimicrobial agent 6-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-2-{[2-(morpholin-4-yl)ethyl] sulfanyl}pyrimidin-4(3H)-one

S. Soumya, I. Joe, Reem I. Al-Wabli, 2018, Open Chemistry.

Synthesis and Characterization of Iron Oxide Nanoparticles using DMSO as a Stabilizer

I. Joe, S. Gopal, V. B. Jothy, 2015 .

Synthesis, Spectroscopic (FTIR, FT-Raman and UV-Vis), Structural Investigation, Hirshfeld, AIM, NBO, Chemical Reactivity, In-Vitro and In-Silico Analysis of N-(2-Hydroxyphenyl)-4-Toluenesulfonamide

S. Balachandran, I. Joe, D. Dhas, 2022, Polycyclic Aromatic Compounds.

Structure activity relationship, vibrational spectral investigation and molecular docking analysis of anti-neuronal drug 4-(2-Aminoethyl) morpholine

S. Kapoor, N. Maiti, I. Joe, 2017 .

Positional isomers of heterocyclic azo dyes: Investigation of NLO properties by Z-scan and correlative DFT studies

Chaitannya W. Ghanavatkar, Virendra R. Mishra, N. Sekar, 2021, Journal of the Indian Chemical Society.

NIR‐FT Raman and FT‐IR spectral studies and ab initio calculations of the anti‐cancer drug combretastatin‐A4

Ole Faurskov Nielsen, Jose P. Abraham, George R. Pettit, 2004 .

Near‐infrared Fourier transform Raman, surface‐enhanced Raman scattering and Fourier transform infrared spectra and ab initio calculations of the natural product nodakenetin angelate

O. Nielsen, J. Aubard, I. Joe, 2005 .

Synthesis, characterization, crystal structure and theoretical studies of 4-[(E)-(3-chloro-4-hydroxyphenyl) diazenyl]-1, 5-dimethyl-2-phenyl-1, 2-dihydro-3H-pyrazol-3-one

S. Balachandran, I. Joe, L. Athira, 2017 .

Spectroscopic investigations and ab initio computations of the dye Chromotrope 2R

C. Ravikumar, I. Joe, M. Snehalatha, 2009 .

Molecular structure and vibrational spectra of 2,6-bis(benzylidene)cyclohexanone: a density functional theoretical study.

D. Sajan, I. Joe, Y. Erdoğdu, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic investigation and non linear optical activity study on 7,7,8,8-tetra cyano quino dimethane

S. Balachandran, I. Joe, I. Hubert Joe, 2019, Chemical Data Collections.

Cu:ZnS and Al:ZnS thin films prepared on FTO substrate by nebulized spray pyrolysis technique

I. Joe, S. Valanarasu, Deva Arun Kumar Karuppiah, 2018, Journal of Materials Science: Materials in Electronics.

Influence of acceptors in NLOphoric aacenaphthene and morpholine-thiourea hybrid dyes: Photophysical, viscosity, DFT and Z-Scan study

N. Sekar, I. Joe, Ramnath R. Mallah, 2019, Optical Materials.

Quantum chemical computation and spectroscopic investigation on antiviral drug Acyclovir:-In-silico and in-vitro analysis

I. Joe, S. Nisha, 2021 .

Synthesis, Spectroscopic Identification and Molecular Docking of Certain N-(2-{[2-(1H-Indol-2-ylcarbonyl) hydrazinyl](oxo)acetyl}phenyl)acetamides and N-[2-(2-{[2-(Acetylamino)phenyl](oxo)acetyl}hydrazinyl)-2-oxoethyl]-1H-indole-2-carboxamides: New Antimicrobial Agents

I. Joe, Reem I. Al-Wabli, M. Attia, 2018, Molecules.

Red Emitting Hydroxybenzazole (HBX) Based Azo Dyes: Linear and Non Linear Optical Properties, Optical Limiting, Z Scan Analysis with DFT Assessments

Chaitannya W. Ghanavatkar, Virendra R. Mishra, I. Joe, 2020, Journal of Fluorescence.

Pyrene Based NLOphoric D‐π‐A‐π‐D Coumarin‐Chalcone and Their Red Emitting OBO Difluoride Complex: Synthesis, Solvatochromism, Z‐scan, and Detailed TD‐DFT Studies

N. Sekar, I. Joe, M. Sreenath, 2019, ChemistrySelect.

Experimental and theoretical spectroscopic analysis, hydrogen bonding, reduced density gradient and antibacterial activity study on 2-Phenyl quinoline alkaloid

S. Balachandran, I. Joe, I. Hubert Joe, 2020, Chemical Physics.

NLO Properties of 2‐Napthol Monoazo Disperse Dyes by DFT and Z‐Scan Technique – A Detailed Study

N. Sekar, I. Joe, M. Sreenath, 2019 .

Experimental and theoretical investigation of linear and nonlinear optical properties of ethyl‐3‐hydroxy‐2‐napthoate azo dyes by solvatochromic, computational aspects, and Z‐scan technique

S. Taware, N. Sekar, I. Joe, 2020 .

Experimental and theoretical investigation of third-order nonlinear optical properties of azo dye 1-(2, 5-Dimethoxy-phenylazo)-naphthalen-2-ol by Z-scan technique and quantum chemical computations

V. Rastogi, I. Joe, M. Sreenath, 2018, Dyes and Pigments.

Reverse saturable absorption behavior of Disodium 8-Hydroxy-5,7-Dinitro-2-Naphthalenesulfonate Hydrate for nonlinear optical applications

I. Joe, M. Sreenath, V. K. Rastogi, 2019, Journal of Molecular Structure.

Third-order nonlinear optical studies of two novel chalcone derivatives using Z-scan technique and DFT method

I. Joe, I. Hubert Joe, B. Narayana, 2019 .

Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid.

T. Beaula, V. Rastogi, I. Joe, 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectral investigations, DFT computations and molecular docking studies of the antimicrobial 5-nitroisatin dimer

T. Beaula, I. Joe, V. K. Rastogi, 2015 .

Chemical Computations and Vibrational Spectral Studies of 2,3-Pyrazinedicarboxylic Acid☆

T. Beaula, I. Joe, V. K. Rastogi, 2015 .

A combined experimental and quantum chemical study on molecular structure, spectroscopic properties and biological activity of anti-inflammatory Glucocorticosteroid drug, Dexamethasone

I. Joe, S. Soumya, 2021 .

Vibrational Spectral Studies and Ab initio Computations of a Nonlinear Food Dye Carmoisine

C. Ravikumar, N. Sekar, I. Joe, 2008 .

Benzothiazole pyrazole containing emissive azo dyes decorated with ESIPT core: Linear and non linear optical properties, Z scan, optical limiting, laser damage threshold with comparative DFT studies

Chaitannya W. Ghanavatkar, Virendra R. Mishra, N. Sekar, 2020 .

Experimental and theoretical analyses and investigation of intermolecular interactions and antibacterial activity of a novel proton transfer compound:8-hydroxyquinolinium oxalate monohydrate.

I. Joe, Bini Mathew, S. Suma, 2023, Heliyon.

NLO characteristics of D-π-A coumarin-thiophene bridged azo dyes by Z-scan and DFT methods

N. Sekar, I. Joe, M. Sreenath, 2020, Molecular Physics.

Triphenylamine derived coumarin chalcones and their red emitting OBO difluoride complexes: Synthesis, photophysical and NLO property study

N. Sekar, I. Joe, S. Kothavale, 2018 .

Experimental and computational approach on p-toluenesulfonamide and its derivatives

I. Joe, D. Aruldhas, B. Sasi, 2020 .

Intramolecular charge delocalization and nonlinear optical properties of push-pull chromophore 1-(4-N,N-dimethylaminopyridinium) acetic acid bromide monohydrate from vibrational spectra.

D. Sajan, I. Joe, M. Amalanathan, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Non-opioid analgesic drug flupirtine: Spectral analysis, DFT computations, in vitro bioactivity and molecular docking study

I. Joe, D. R. Leenaraj, 2017 .

Experimental and theoretical spectroscopic analysis, chemical reactivity and fungicidal activity study on benalaxyl along with quantum chemical computation on metalaxyl and furalaxyl

S. Balachandran, I. Joe, D. Aruldhas, 2018, Chemical Data Collections.

DFT and Vibrational Spectroscopic Study on Methyl N-(2-furoyl)-N-(2,6-xylyl)-DL-Alaninate Fungicide

S. Balachandran, I. Joe, D. Aruldhas, 2016 .

Normal coordinate analysis and fungicidal activity study on anilazine and its related compound using spectroscopic techniques

S. Balachandran, I. Joe, D. Dhas, 2016 .

Synthesis, Hirshfeld surface analysis, laser damage threshold, third-order nonlinear optical property and DFT computation studies of Dichlorobis(DL-valine)zinc(II): A spectroscopic approach

I. Hassan, I. Joe, S. Chitrambalam, 2018 .

Z-scan measurements of the third-order optical nonlinearities and vibrational spectral studies by DFT computations on azo dye 1-(2-Methylphenylazo)-2-napthol

I. Joe, S. Mathew, M. Sreenath, 2017 .

Structural Properties and Biological Prediction of ({[(1E)-3-(1H-Imidazol-1-yl)-1-phenylpropylidene] amino}oxy)(4-methylphenyl)methanone: An In Silico Approach

Mohammed Attia, I. Hubert Joe, Maha Al-Mutairi, 2015, Symmetry.

Analysis of vibrational spectra and nonlinear optical properties of organic molecule L-alaninium formate.

V. Rastogi, T. Xavier, I. Joe, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Structural and nonlinear optical properties of cross-conjugated system benzophenone thiosemicarbazone: a vibrational spectroscopic study

C. Ravikumar, I. Joe, 2011 .

Spectroscopic, quantum chemical, hydrogen bonding, reduced density gradient analysis and anti-inflammatory activity study on piper amide alkaloid piperine and wisanine

S. Balachandran, I. Joe, D. Dhas, 2021 .

Structural activity (monomer and dimer), spectroscopic analysis, chemical reactivity, fungicidal activity and molecular dynamics simulation of phenyl benzamide fungicides: A combined experimental and theoretical approach

S. Balachandran, I. Joe, D. Aruldhas, 2019, Journal of Molecular Structure.

FT-IR, Raman and DFT study of 2-amino-5-fluorobenzoic acid and its biological activity with other halogen (Cl, Br) substitution.

T. Xavier, I. Joe, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Red Emitting Hydroxybenzazole (HBX) Based Azo Dyes: Linear and Non Linear Optical Properties, Optical Limiting, Z Scan Analysis with DFT Assessments

Chaitannya W. Ghanavatkar, Virendra R. Mishra, I. Joe, 2020, Journal of Fluorescence.

Synthesis, Reactivity Properties, Experimental and Computational Analysis of Sulfathiazole-4-Nitrobenzoic Acid: An Antimicrobial Agent

S. Balachandran, I. Joe, D. Dhas, 2023, Polycyclic Aromatic Compounds.

Spectroscopic analysis and DFT calculations of a food additive carmoisine.

C. Ravikumar, N. Sekar, I. Joe, 2009, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular structure and vibrational spectra of 2,6-bis(benzylidene)cyclohexanone: a density functional theoretical study.

D. Sajan, I. Joe, Y. Erdoğdu, 2011, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Feasibility of using near infrared spectroscopy to detect and quantify an adulterant in high quality sandalwood oil.

Saji Kuriakose, I. Joe, I Hubert Joe, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

FT-IR, FT-Raman, DFT computations and molecular docking studies of antiviral drug bifendate

I. Joe, S. Nisha, 2023, 2ND INTERNATIONAL CONFERENCE ON MATERIALS FOR ENERGY AND ENVIRONMENT 2020.

Structural, magnetic, and nonlinear optical properties of calcium doped Ni-Zn ferrite nanoparticles synthesized by co-precipitation method

I. Joe, Elizabeth Mathew, P. Aswathy, 2023, Materials Science and Engineering: B.

Influence of stereoelectronic effects on the non-opioid analgesics gaboxadol and gaboxadol hydrochloride: Spectral and DFT study

I. Joe, D. R. Leenaraj, 2018 .

NIR-FT Raman and infrared spectra and ab initio computations of glycinium oxalate.

B. Pradeep, V. Kartha, D. Sajan, 2004, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Electronic absorption and vibrational spectra and nonlinear optical properties of L-valinium succinate.

T. Xavier, I. Joe, I. Hubert Joe, 2012, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Molecular docking and structural analysis of non-opioid analgesic drug acemetacin with halogen substitution: A DFT approach

I. Joe, D. Manimaran, D. R. Leenaraj, 2016 .

Simulation of a tetramer form of 5-chlorouracil: the vibrational spectra and molecular structure in the isolated and in the solid state by using DFT calculations.

T. Akitsu, Satendra Kumar, V. Rastogi, 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.