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Lista de obras de Arkajyoti Sengupta

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

artículo científico publicado en 2018

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

artículo científico publicado en 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

artículo científico publicado en 2016

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

artículo científico publicado en 2015

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

artículo científico publicado en 2015

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

artículo científico publicado en 2018

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

artículo científico publicado en 2012

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

artículo científico publicado en 2014

Simulating the Chelate Effect

artículo científico publicado en 2018

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

artículo científico publicado en 2017

Thermodynamics of Transition Metal Ion Binding to Proteins

scientific article published on 18 March 2020

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