Yuezhi Mao - Dissemin

Language
Login

All papers authored by Yuezhi Mao

This paper is available in a repository.

2021 Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng

ORCID

, Joonho Lee, Yuezhi Mao

ORCID

, Narbe Mardirossian, Pavel Pokhilko, Alec F. White

ORCID

, Marc P. Coons

ORCID

, Adrian L. Dempwolff

ORCID

, Zhengting Gan, Diptarka Hait

ORCID

, Paul R. Horn, Leif D. Jacobson, Ilya Kaliman and 205 other authors

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Download from zenodo.org

This paper is made freely available by the publisher.

2020 Yuezhi Mao

ORCID

, Matthias Loipersberger

ORCID

, Kareesa J. Kron

ORCID

, Jeffrey S. Derrick

ORCID

, Shaama Mallikarjun Sharada

ORCID

ORCID

, Shaama Mallikarjun Sharada, Martin Head-Gordon

ORCID

Consistent Inclusion of Continuum Solvation in Energy Decomposition Analysis: Theory and Application to Molecular CO2 Reduction Catalysts

Download from doi.org

This paper was not found in any repository, but could be made available legally by the author.

Yuezhi Mao

ORCID

, Daniel S. Levine

ORCID

, Matthias Loipersberger

ORCID

, Paul R. Horn, Martin Head-Gordon

ORCID

Probing radical–molecule interactions with a second generation energy decomposition analysis of DFT calculations using absolutely localized molecular orbitals

Upload

This paper was not found in any repository, but could be made available legally by the author.

Srimukh Prasad Veccham

ORCID

ORCID

, Yuezhi Mao

ORCID

, Paul R. Horn, Martin Head-Gordon

ORCID

A Non-Perturbative Pairwise-Additive Analysis of Charge Transfer Contributions to Intermolecular Interaction Energies

Upload

This paper was not found in any repository, but could be made available legally by the author.

2017 Yuezhi Mao

ORCID

, Paul R. Horn, Martin Head-Gordon

Energy decomposition analysis in an adiabatic picture

Upload

This paper is made freely available by the publisher.

2016 Paul R. Horn, Yuezhi Mao

ORCID

, Martin Head-Gordon

Defining the contributions of permanent electrostatics, Pauli repulsion, and dispersion in density functional theory calculations of intermolecular interaction energies

Download from aip.scitation.org

This paper was not found in any repository, but could be made available legally by the author.

Paul R. Horn, Yuezhi Mao

ORCID

, Martin Head-Gordon

Probing non-covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals

Upload

Missing publications? Search for publications with a matching author name.