Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of L-histidinium bromide monohydrate: a density functional theory D Sajan, L Joseph, N Vijayan, M Karabacak Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 81 (1 …, 2011 | 179 | 2011 |
Synthesis, crystal growth, thermal studies and scaled quantum chemical studies of structural and vibrational spectra of the highly efficient organic NLO crystal: 1-(4 … L Joseph, D Sajan, V Shettigar, K Chaitanya, N Misra, T Sundius, I Němec Materials Chemistry and Physics 141 (1), 248-262, 2013 | 44 | 2013 |
Spectroscopic and DFT-based computational studies on the molecular electronic structural characteristics and the third-order nonlinear property of an organic NLO crystal:(E)-N … V Sasikala, D Sajan, L Joseph, J Balaji, S Prabu, P Srinivasan Chemical Physics Letters 674, 11-27, 2017 | 22 | 2017 |
Vibrational spectra, structural conformations, scaled quantum chemical calculations and NBO analysis of 3-acetyl-7-methoxycoumarin L Joseph, D Sajan, R Reshmy, BSA Sasi, Y Erdogdu, KK Thomas Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 99, 234-247, 2012 | 22 | 2012 |
Synthesis, growth, vibrational spectral investigations and structure–property relationship of an organic NLO crystal: 3, 4-dimethoxy chalcone S Alen, D Sajan, L Joseph, K Chaitanya, V Shettigar, VB Jothy Chemical Physics Letters 636, 208-215, 2015 | 19 | 2015 |
Growth and combined experimental and quantum chemical study of glycyl-L-Valine crystal C Usha, R Santhakumari, L Joseph, D Sajan, R Meenakshi, A Sinthiya Heliyon 5 (5), 2019 | 13 | 2019 |
Synthesis, crystal growth, thermal, electronic and vibrational spectral studies of 1-(4-Bromophenyl)-3-(3, 4-dimethoxy-phenyl) prop-2-en-1-one: A density functional theory study L Joseph, BS Arunsasi, D Sajan, V Shettigar Journal of Molecular Structure 1076, 687-697, 2014 | 13 | 2014 |
Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1, 2-bis (3, 5-dimethoxy phenyl)-ethene based on density functional theory … L Joseph, D Sajan, K Chaitanya, J Isac Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 122, 375-386, 2014 | 12 | 2014 |
Vibrational (FT-IR and FT-Raman) spectral investigations of 7-aminoflavone with density functional theoretical simulations Y Erdogdu, Ö Dereli, D Sajan, L Joseph, O Unsalan, MT Gulluoglu Molecular Simulation 38 (4), 315-325, 2012 | 12 | 2012 |
Molecular structure, NBO analysis, electronic absorption and vibrational spectral analysis of 2-Hydroxy-4-Methoxybenzophenone: Reassignment of fundamental modes L Joseph, D Sajan, K Chaitanya, T Suthan, NP Rajesh, J Isac Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 120, 216-227, 2014 | 11 | 2014 |
Investigations of Dianhydro‐D‐glucitol adsorbed on AuNPs surface: In silico and in vitro approach based on anticancer activity studies against A549 lung cancer cell lines. L DR, L Joseph, D Sajan Journal of Molecular Recognition 34 (9), 2021 | 5 | 2021 |
Experimental and theoretical studies on the bifurcated hydrogen bonded NLO active material of pure and crystal violet dye-doped L-argininium bis dihydrogen phosphate R Ittyachan, J George, L Cherian, L Joseph, D Sajan, G Vinitha Optical Materials 92, 111-124, 2019 | 5 | 2019 |
Spectroscopic investigations on the charge transfer and hydrogen bonding effect of the potential bioactive agent 4-methyl-benzyl ammonium chloride hemihydrate: A combined … JE Varghese, L Joseph, D Sajan, R Aarthi, CR Raja Chemical Physics Letters 761, 138014, 2020 | 4 | 2020 |
Spectroscopic, density functional theoretical study, molecular docking, and in vitro studies based on anticancer activity studies against A549 lung cancer cell line of … V Shyni, DR Leenaraj, R Ittyachan, L Joseph, D Sajan Journal of Molecular Recognition 34 (11), e2916, 2021 | 3 | 2021 |
Spectroscopic and non-linear optical studies of two novel optical limiters from dichloroaniline family crystals: 3, 4-Dichloroaniline and 3, 5-dichloroaniline V Sasikala, D Sajan, L Joseph, B Narayana, BK Sarojini Optics & Laser Technology 96, 23-42, 2017 | 3 | 2017 |
Density functional theory study, FT-IR and FT-Raman spectra and SQM force field calculation for vibrational analysis of 1, 3-Bis (hydroxymethyl) benzimidazolin-2-one L Joseph, D Sajan, K Chaitanya, HC Devarajegowda, J Isac Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 114, 432-440, 2013 | 2 | 2013 |
Density functional theoretical study, spectroscopic characterization and molecular docking of the diuretic drug, spironolactone, adsorbed on AuNPs surface and in-vitro studies … V Shyni, DR Leenaraj, R Ittyachan, RV Rajan, GJ Shyju, L Joseph, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 646, 128255, 2022 | 1 | 2022 |
Anticancer activity of indapamide adsorbed on gold nanoparticles: DFT, in‐silico, and in‐vitro analysis V Shyni, DR Leenaraj, R Ittyachan, L Joseph, D Sajan Journal of Molecular Recognition 34 (10), e2920, 2021 | 1 | 2021 |
Spectroscopic studies, quantum chemical investigations, and in silico and in vitro scrutiny of the diuretic drug trichlormethiazide adsorbed on AuNPs V Shyni, DR Leenaraj, R Ittyachan, GJ Shyju, L Joseph, D Sajan Journal of Molecular Recognition 35 (1), e2939, 2022 | | 2022 |
Density Functional Study on the Structural Conformations and Intramolecular Charge Transfer From the Vibrational Spectra of 1‐(4‐aminophenyl) 3‐(3, 4‐dimethoxyphenyl)‐2‐propen … D Sajan, L Joseph, I Hubert Joe AIP Conference Proceedings 1267 (1), 625-626, 2010 | | 2010 |