Hengyuan Shen

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 5

Top Topics

Density Functional Theory

Single Molecule

Positron Emission Tomography

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

The journal of physical chemistry letters

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

Publications

Hengyuan Shen, Martin Head-Gordon
Occupied-Virtual Orbitals for Chemical Valence with Applications to Charge Transfer in Energy Decomposition Analysis. The journal of physical chemistry. A 128 (26) (2024)
Hengyuan Shen, Martin Head-Gordon
Occupied-Virtual Orbitals for Chemical Valence with Applications to Charge Transfer in Energy Decomposition Analysis. The journal of physical chemistry. A (2024)
Hengyuan Shen, Srimukh Prasad Veccham, Martin Head-Gordon
Exactly Fragment Additive Breakdown of Polarization for Energy Decomposition Analysis Based on the Self-Consistent Field for Molecular Interactions. Journal of chemical theory and computation 19 (23) (2023)
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)
Hengyuan Shen, Zhenling Wang, Martin Head-Gordon
Generalization of ETS-NOCV and ALMO-COVP Energy Decomposition Analysis to Connect Any Two Electronic States and Comparative Assessment. Journal of chemical theory and computation (2022)