Arkajyoti Sengupta

Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models

Arkajyoti Sengupta, Zhen Li, Lin Frank Song et al. · Journal of Chemical Information and Modeling · 2021 · 241 citations · Full text

Anion Binding in Solution: Beyond the Electrostatic Regime

Yun Liu, Arkajyoti Sengupta, Krishnan Raghavachari et al. · Chem · 2017 · 172 citations · Full text

Engineering, Anion Binding, Natural Sciences +7

Anions Stabilize Each Other inside Macrocyclic Hosts

Elisabeth M. Fatila, Eric B. Twum, Arkajyoti Sengupta et al. · Angewandte Chemie International Edition · 2016 · 130 citations

Anions Stabilize, Engineering, Cyanostar Macrocycles +13

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

Bo Qiao, Arkajyoti Sengupta, Yun Liu et al. · Journal of the American Chemical Society · 2015 · 85 citations

Engineering, Computational Chemistry, Ion-pair Binding +18

An Enzymatic Platform for Primary Amination of 1-Aryl-2-alkyl Alkynes

Zhen Liu, Ziyang Qin, Ledong Zhu et al. · Journal of the American Chemical Society · 2021 · 70 citations · Full text