(For complete list of our publications see below or go to Google Scholar, ORCHID)
2023
Parvathi Santhoshkumar, Rajalakshmi C, Lydia Elizabeth Mathews, Rehin Sulay, Vibin Ipe Thomas
https://doi.org/10.2533/chimia.2023.246
Mechanistic Views on the Manganese Catalyzed Homogeneous Coupling Reactions
Parvathi Santhoshkumar, Rajalakshmi C, Rehin Sulay, Vibin Ipe Thomas
https://doi.org/10.2174/1385272827666230803092641
Design of hexagonal gold nano disks for surface-enhanced Raman scattering based sensing
S Simitha, Devika Mohan, Sophia Regi, Jesly Jacob, Vibin Ipe Thomas
https://doi.org/10.1016/j.matpr.2023.10.067
A dual functional asymmetric plasmonic silver nanostructure for temperature and magnetic field sensing
S Simitha, Devika Mohan, Shinto M Francis, Ajith Ramachandran, Jesly Jacob, Vibin Ipe Thomas
https://doi.org/10.1039/D3CP01748F
Comprehensive computational study on reaction mechanism of N-Nitroso dimethyl amine formation from substituted hydrazine derivatives during ozonation
Rehin Sulay, Jintumol Mathew, Anandhu Krishnan, Vibin Ipe Thomas
https://doi.org/10.1016/j.heliyon.2023.e14511
Theoretical modelling of a deformation based concave square ring-square disc (SR-SD) silver structure for pressure sensing
S Simitha, Shinto M Francis, Jesly Jacob, Vibin Ipe Thomas
https://doi.org/10.1088/1757-899X/1263/1/012004
Theoretical modelling of Au and Ag hollow cylinders for high resolution refractive index sensing of bio-analytes and gases
Devika Mohan, S Simitha, Vibin Ipe Thomas and Jesly Jacob
IOP Conf. Ser. Mater. Sci. Eng. 2022, 1263, 012003 , https://doi.org/10.1088/1757-899X/1263/1/012003
Matrix shaped plasmonic hybrid nanostructure with direction-dependent functionality for multianalyte detection and biosensing
Simitha S, Shinto M Francis, Ajith Ramachandran, Jesly Jacob and Vibin Ipe Thomas
Journal of Physics D. Applied Physics, 2022, 55, 405403, doi.org/10.1088/1361-6463/ac8295
Design and modelling of nano-channel based plasmonic sensor for refractive index and pressure sensing in mid – IR range
Simitha S, Shinto M Francis, Jesly Jacob and Vibin Ipe Thomas
Materials Today Proceedings, 2022, 68, 119-123, https://doi.org/10.1016/j.matpr.2022.07.008
A Quantum Chemical Investigation into the Molecular Mechanism of the Atmospheric Reactions of Chemi-Ions with Nitrogen and Nitrogen Oxides
Rehin Sulay, Anandhu Krishnan, Balasubramoniam Muralikrishna, Sudheesh Devadas, Chandralekha Rajalakshmi, Jintumol Mathew and Vibin Ipe Thomas
Entropy, 2022, 24(9), 1257 , https://www.mdpi.com/1099-4300/24/9/1257
Electronic structure and luminescence characteristics of rare earth free self-activated Ca2Sb2O7 blue emitting phosphor
Anns George, Remya Mohan P, P.A.Aiswarya, C.Rajalakshmi, Vibin Ipe Thomas, Cyriac Joseph and P.R.Biju
Current Applied Physics. 2022, 39, 272-282, https://doi.org/10.1016/j.cap.2022.05.007
Unravelling the Mechanism of Cobalt (II) Catalyzed O-Arylation Reaction Between Aryl Halides and Phenols: A DFT Study
C Rajalakshmi, Anjali Radhakrishnan, M.Ujwaldev Sankuviruthiyil, Anilkumar Gopinathan and Vibin Ipe Thomas
Journal of Organometallic Chemistry, 2022, 972, 122385, https://doi.org/10.1016/j.jorganchem.2022.122385
A Detailed Theoretical Investigation to Unravel the Molecular Mechanism of Ligand-free Copper-Catalyzed Suzuki Cross-Coupling Reaction
C Rajalakshmi, Anandhu Krishnan, Salim Saranya, Gopinathan Anilkumar and Vibin Ipe Thomas
Organic and Biomolecular Chemistry, 2022,20, 4539-4552, https://doi.org/10.1039/D2OB00371F
Rapid Computational Approach Towards Designing Singlet-Fission Chromophores by Tuning the Diradical Character of Heteroatom-Doped Polycyclic Aromatic Hydrocarbons Using the Atom-Specific Fukui Function
Christina Mariam Mathew, Ann Varghese, Sunish K. Sugunan, and Vibin Ipe Thomas
Journal of Physical Chemistry A, 2022, 126, 10, 1579–1590, https://pubs.acs.org/doi/10.1021/acs.jpca.1c08094
Dual channel plasmonic hybrid system as potential multi-analyte and multi-parameter sensor
Simitha S, Shinto M Francis, Ajith Ramachandran, Jesly Jacob and Vibin Ipe Thomas
Optics & Laser Technology, 2022, 149, 107853, https://doi.org/10.1016/j.optlastec.2022.107853
A Tunable Plasmonic Refractive Index Sensor with Ultrabroad Sensing Range for Cancer Detection
Simitha S, Shinto M Francis, Jesly Jacob and Vibin Ipe Thomas
Plasmonics, 2021, 16, 1705–1717, https://doi.org/10.1007/s11468-021-01418-5
Theoretical investigation into the mechanism of copper-catalyzed Sonogashira coupling using trans-1,2-diamino cyclohexane ligand
C.Rajalakshmi, S.S.Jibin, Rehin Sulay, Sujatha Asha, Vibin Ipe Thomas, Gopinathan Anilkumar
Polyhedron, 2021, 193, 114869, https://doi.org/10.1016/j.poly.2020.114869
LC-MS analysis of p-aminosalicylic acid under electrospray ionization conditions manifests a profound solvent effect
Jisha Chandran, Zhaoyu Zheng, Vibin Ipe Thomas, C. Rajalakshmic and Athula B. Attygalle
Analyst, 2020, 145, 5333-5344, https://doi.org/10.1039/D0AN00680G
Modelling and synthesis of solution processable dibenzothiophene derivative for organic electronics
Seena Elizabeth George, Vibin Ipe Thomas, Beena James, Pearl Augustine, C.Rajalakshmi, and P.Manoj
Materials Today Proceedings, 2020, 33, 1288-1292, https://doi.org/10.1016/j.matpr.2020.03.731 (2020)
Solvent dependent ESI-collisionally induced dissociation of protonated nitenpyram
Jisha Chandran, U.K.Aravind, C.Rajalakshmi, Vibin Ipe Thomas, P.T.Nguyen, and C.T.Aravindakumar
International Journal of Mass Spectrometry, 2019, 445, 116207, https://doi.org/10.1016/j.ijms.2019.116207
Theoretical Probing of Weak Anion–Cation Interactions in Certain Pyridinium-Based Ionic Liquid Ion Pairs and the Application of Molecular Electrostatic Potential in Their Ionic Crystal Density Determination: A Comparative Study Using Density Functional Approach
Aswathy Joseph, Vibin Ipe Thomas, Gaweł Żyła, A. S. Padmanabhan, and Suresh Mathew
Journal of Physical Chemistry A, 2018, 122, 1, 328–340, https://doi.org/10.1021/acs.jpca.7b09189
Paramagnetic ionic liquids for advanced applications: A review
Aswathy Joseph, Gaweł Żyła, Vibin Ipe Thomas, P. Radhakrishnan Nair, A.S.Padmanabhan, and Suresh Mathew
Journal of Molecular Liquids, 2016, 218, 319–31, doi.org/10.1016/j.molliq.2016.02.086
Donor-bridge-acceptor proton transfer in aqueous solution
Rivard, U., Thomas, V., Bruhacs, A., Siwick, B., Iftimie, R.
The Journal of Physical Chemistry Letters, 2014, 5, 18, 3200–3205, doi.org/10.1021/jz501378d
Moderately strong phenols dissociate by forming an ion-pair kinetic intermediate
Iftimie, R., Tremblay, M.-H., Thomas, V., Hétu, S., De Lasalle, F., Rivard, U.
The Journal of Physical Chemistry A, 2013, 117, 51, 13976–13987, doi.org/10.1021/jp410858d
Concerted and sequential proton transfer mechanisms in water-separated acid-base encounter pairs
Thomas, V., Rivard, U, Maurer, P., Bruhács, A., Siwick, B.J., Iftimie, R.
The Journal of Physical Chemistry Letters, 2012, 3, 18, 2633–2637, doi.org/10.1021/jz3012639
A computational study of ultrafast acid dissociation and acid-base neutralization reactions. II. the relationship between the coordination state of solvent molecules and concerted versus sequential acid dissociation
Maurer, P., Thomas, V., Iftimie, R.
The Journal of Chemical Physics, 2011, 134, 094505, doi.org/10.1063/1.3554654
A computational study of ultrafast acid dissociation and acid-base neutralization reactions. I. the model
Maurer, P., Thomas, V., Rivard, U., Iftimie, R.
The Journal of Chemical Physics 2010, 133, 044108, doi.org/10.1063/1.3461162
On the formation of proton-shared and contact ion pair forms during the dissociation of moderately strong acids: An Ab initio molecular dynamics investigation
Thomas, V., Maurer, P., Iftimie, R.
The Journal of Physical Chemistry B, 2010, 114, 24, 8147–8155, doi.org/10.1021/jp102822c
Toward understanding the dissociation of weak acids in water: 1. using ir spectroscopy to identify proton-shared hydrogen-bonded ion-pair intermediates
Thomas, V., Maurer, P., Iftimie, R.
The Journal of Physical Chemistry B, 2009, 113, 13, 4152–4160, doi.org/10.1021/jp807378x
Spectral signatures and molecular origin of acid dissociation intermediates
Iftimie, R., Thomas, V., Plessis, S., Marchand, P., Ayotte, P.
Journal of the American Chemical Society, 2008, 131, 18, 5901–5907, doi.org/10.1021/ja077846o
