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List of works by Arkajyoti Sengupta

Accurate Thermochemistry for Organic Cations via Error Cancellation using Connectivity-Based Hierarchy

scientific article published in February 2018

Accurate and computationally efficient prediction of thermochemical properties of biomolecules using the generalized connectivity-based hierarchy

scientific article published on 05 August 2014

Anion-Binding Macrocycles Operate Beyond the Electrostatic Regime: Interaction Distances Matter

scientific article published on 19 September 2018

Anions Stabilize Each Other inside Macrocyclic Hosts

scientific article published on 6 October 2016

Application of the Generalized Connectivity-Based Hierarchy to Biomonomers: Enthalpies of Formation of Cysteine and Methionine ⬇️

scientific article published on May 31, 2013

Breaking a bottleneck: Accurate extrapolation to "gold standard" CCSD(T) energies for large open shell organic radicals at reduced computational cost.

scientific article published on 17 August 2015

Electrostatic and Allosteric Cooperativity in Ion-Pair Binding: A Quantitative and Coupled Experiment-Theory Study with Aryl-Triazole-Ether Macrocycles.

scientific article published on 24 July 2015

Fragment-Based Approaches for Supramolecular Interaction Energies: Applications to Foldamers and Their Complexes with Anions

scientific article published on 28 November 2018

Mechanistic insights on organocatalytic enantioselective decarboxylative protonation by epicinchona-thiourea hybrid derivatives

scientific article published on 27 November 2012

Prediction of Accurate Thermochemistry of Medium and Large Sized Radicals Using Connectivity-Based Hierarchy (CBH)

scientific article published on 29 August 2014

Simulating the Chelate Effect

scientific article published on 06 November 2018

Solving the Density Functional Conundrum: Elimination of Systematic Errors To Derive Accurate Reaction Enthalpies of Complex Organic Reactions.

scientific article published on 5 May 2017

Thermodynamics of Transition Metal Ion Binding to Proteins

scientific article published on 18 March 2020

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