List of works - Rabindranath Lo

A new receptor with a FRET based fluorescence response for selective recognition of fumaric and maleic acids in aqueous medium.

scientific article published in October 2013

Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite.

scientific article

An Isolated Molecule of Iron(II) Phthalocyanin Exhibits Quintet Ground-State: A Nexus between Theory and Experiment

scientific article published on 29 August 2018

Can hydroxylamine be a more potent nucleophile for the reactivation of tabun-inhibited AChE than prototype oxime drugs? An answer derived from quantum chemical and steered molecular dynamics studies.

scientific article published in July 2014

First principle studies toward the design of a new class of carbene superbases involving intramolecular H···π interactions

scientific article published on 13 May 2011

First principles studies toward the design of silylene superbases: a density functional theory study

scientific article published on 03 April 2013

From Dibismuthenes to Three- and Two-Coordinated Bismuthinidenes by Fine Ligand Tuning: Evidence for Aromatic BiC3N Rings through a Combined Experimental and Theoretical Study

article

In silico studies in probing the role of kinetic and structural effects of different drugs for the reactivation of tabun-inhibited AChE

scientific article (publication date: 2013)

In silico studies on the role of mutant Y337A to reactivate tabun inhibited mAChE with K048.

scientific article published on 19 October 2015

In silico study on aging and reactivation processes of tabun conjugated AChE

Non-covalent control of spin-state in metal-organic complex by positioning on N-doped graphene

scientific article published in Nature Communications

On the nature of the stabilisation of the E⋯π pnicogen bond in the SbCl3⋯toluene complex

scientific article published on 03 February 2016

Probing the reactivation process of sarin-inhibited acetylcholinesterase with α-nucleophiles: hydroxylamine anion is predicted to be a better antidote with DFT calculations

scientific article published on 06 May 2011

Probing the selective separation of potassium ion from sodium ion with cyclopentadienyl anion as receptor: a computational study.

scientific article published in August 2015

Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime

scientific article published on 9 September 2014

Rational design of a new class of polycyclic organic bases bearing two superbasic sites and their applications in the CO2 capture and activation process

scientific article published on 08 May 2012

Revealing halogen bonding interactions with anomeric systems: an ab initio quantum chemical studies

scientific article published on 28 November 2014

Spin modification of iron(ii) complexes via covalent (dative) and dispersion guided non-covalent bonding with N-heterocyclic carbenes: DFT, DLPNO-CCSD(T) and MCSCF studies

scientific article published on 03 December 2019

Superbasicity of silylene derivatives achieved via non-covalent intramolecular cation···π interactions and exploited as molecular containers for CO2.

scientific article published in June 2014

Synthesis, structural characterization, docking, lipophilicity and cytotoxicity of 1-[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]-3-alkyl carbamates, novel acetylcholinesterase and butyrylcholinesterase pseudo-irreversible inhibitors

scientific article published on 26 February 2016

The properties of substituted 3D-aromatic neutral carboranes: the potential for σ-hole bonding.

scientific article published on 27 July 2015

The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies.

scientific article published on 16 February 2016

List of works by Rabindranath Lo