K. S. Resmi

发表

1-D Photonic Crystal Based Dynamic Encoder/Decoder for 2D W-T OCDMA System

Prita Nair, M. Bala Subramanian, K. S. Resmi, 2017 .

Detailed quantum mechanical, molecular docking, QSAR prediction, photovoltaic light harvesting efficiency analysis of benzil and its halogenated analogues

K. S. Resmi, Y. Mary, Y. Mary, 2019, Heliyon.

Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential

K. S. Resmi, B. J. Mohan, Y. Mary, 2018, Journal of Molecular Structure.

Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study

K. S. Resmi, Y. Mary, Renjith Thomas, 2018 .

Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

K. S. Resmi, Y. Mary, B. Sureshkumar, 2018 .

Two novel imidazole derivatives – Combined experimental and computational study

K. S. Resmi, Y. Mary, A. Nanda, 2018, Journal of Molecular Structure.

Design of a Si-EO polymer hybrid WH/TS encoder with transformation optics based waveguide coupler

K. S. Resmi, P. Nair, 2015, 2015 Workshop on Recent Advances in Photonics (WRAP).

Spectroscopic and Theoretical Studies of Potential Anti-Inflammatory Polycyclic Aromatic Fluorophenyl Substituted Acyclic and Heterocyclic Analogues Synthesized from 4,4′-Difluorophenylchalcone

K. S. Resmi, Renjith Thomas, B. Narayana, 2019, Polycyclic Aromatic Compounds.

Structure, Spectral Features, Bioactivity and Light Harvesting Properties of Methyl and Dimethyl Anthracene: Experimental and First Principle Studies

K. S. Resmi, Y. Mary, Y. Mary, 2019, Polycyclic Aromatic Compounds.

Molecular structure, spectroscopic, dielectric and thermal study, nonlinear optical properties, natural bond orbital, HOMO-LUMO and molecular docking analysis of (C6Cl2O4) (C10H14N2F)2·2H2O.

K. S. Resmi, Y. Mary, Renjith Thomas, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations

K. S. Resmi, Y. Mary, Renjith Thomas, 2018 .

Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential

K. S. Resmi, P. Miniyar, Y. Mary, 2018, Journal of Molecular Structure.

Two neoteric pyrazole compounds as potential anti-cancer agents: Synthesis, electronic structure, physico-chemical properties and docking analysis

K. S. Resmi, Y. Mary, Renjith Thomas, 2019, Journal of Molecular Structure.

Computational Evaluation of Molecular Structures and Spectroscopic Properties of Tryptamine Derivatives on Its Binding With Novel Corona Virus Proteins

K. S. Resmi, Y. Mary, J. S. Al-Otaibi, 2021, Polycyclic Aromatic Compounds.

Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives—wavefunction-dependent properties, molecular docking, and dynamics simulation studies

K. S. Resmi, Y. Mary, Y. Mary, 2021, Journal of Molecular Modeling.

Spectroscopic and computational study of chromone derivatives with antitumor activity: detailed DFT, QTAIM and docking investigations

K. S. Resmi, Y. Mary, Y. Mary, 2021, SN Applied Sciences.

Anti‐Cancerous Brucine and Colchicine: Experimental and Theoretical Characterization

K. S. Resmi, Y. Mary, Renjith Thomas, 2019, ChemistrySelect.

Study on the structure, vibrational analysis and molecular docking of fluorophenyl derivatives using FT-IR and density functional theory computations

Abdul-Malek S. Al-Tamimi, K. S. Resmi, Y. Mary, 2018, Journal of Molecular Structure.

Spectral investigations, DFT computations and molecular docking studies of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-{3-[4-(2-methylphenyl)piperazin-1-yl]propyl}-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

K. S. Resmi, Y. Mary, C. Alsenoy, 2015 .

Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulations

K. S. Resmi, Y. Mary, B. Sureshkumar, 2017 .

Conformational, NBO, NLO, HOMO-LUMO, NMR, electronic spectral study and molecular docking study of N,N-Dimethyl-3-(10H-phenothiazin-10-yl)-1-propanamine

K. S. Resmi, Y. Mary, T. Saleh, 2016 .

Spectroscopic, quantum mechanical studies, ligand protein interactions and photovoltaic efficiency modeling of some bioactive benzothiazolinone acetamide analogs

K. S. Resmi, Y. Mary, Y. Mary, 2020, Chemical Papers.

Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one, a potential precursor to bioactive agents

K. S. Resmi, Y. Mary, C. Alsenoy, 2016 .

Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies

K. S. Resmi, Y. Mary, B. Sureshkumar, 2018, Journal of Molecular Structure.

DFT and molecular docking investigations of oxicam derivatives

K. S. Resmi, Y. Mary, Y. Mary, 2019, Heliyon.