Romit Chakraborty

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

Metal Organic Framework

Photodynamic Therapy

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Romit Chakraborty, Justin J Talbot, Hengyuan Shen, Yuto Yabuuchi, Kurtis M Carsch, Henry Z H Jiang, Hiroyasu Furukawa, Jeffrey R Long, Martin Head-Gordon
Quantum chemical modeling of hydrogen binding in metal-organic frameworks: validation, insight, predictions and challenges. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Romit Chakraborty, Justin J Talbot, Hengyuan Shen, Yuto Yabuuchi, Kurtis M Carsch, Henry Z H Jiang, Hiroyasu Furukawa, Jeffrey R Long, Martin Head-Gordon
Quantum chemical modeling of hydrogen binding in metal-organic frameworks: validation, insight, predictions and challenges. Physical chemistry chemical physics : PCCP (2024)
Romit Chakraborty, Justin J Talbot, Hengyuan Shen, Yuto Yabuuchi, Kurtis M Carsch, Henry Z H Jiang, Hiroyasu Furukawa, Jeffrey R Long, Martin Head-Gordon
Quantum chemical modeling of hydrogen binding in metal-organic frameworks: validation, insight, predictions and challenges. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Romit Chakraborty, Justin J Talbot, Hengyuan Shen, Yuto Yabuuchi, Kurtis M Carsch, Henry Z H Jiang, Hiroyasu Furukawa, Jeffrey R Long, Martin Head-Gordon
Quantum chemical modeling of hydrogen binding in metal-organic frameworks: validation, insight, predictions and challenges. Physical chemistry chemical physics : PCCP (2024)
Justin J Talbot, Romit Chakraborty, Hengyuan Shen, Martin Head-Gordon
A Free Energy Decomposition Analysis: Insight into Binding Thermodynamics from Absolutely Localized Molecular Orbitals. The journal of physical chemistry letters (2023)
Romit Chakraborty, Kurtis M Carsch, David E Jaramillo, Yuto Yabuuchi, Hiroyasu Furukawa, Jeffrey R Long, Martin Head-Gordon
Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal-Organic Framework. The journal of physical chemistry letters 13 (44) (2022)