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Gavin A McCarver

7PUBLICATIONS
13CO-AUTHORS
Computational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Transport properties and non-equilibrium processesChemical and thermal processes in energy and combustionTheoretical quantum chemistryMain group metal chemistry
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Journal

Publications (7)

Sort by Publication Date:
|Jul 09, 2026
Unraveling Thermally Regulated Gating Mechanisms in TPT Pore-Partitioned MOF-74: A Computational Endeavor.

|Sep 29, 2025
Temperature-Regulated Gating Enables Gas Separations in Ultramicroporous Aluminum Formate, ALF.

Hayden A Evans, Taner Yildirim, Gavin A McCarver

|Feb 16, 2024
Hetero-bimetallic paddlewheel complexes for enhanced CO<sub>2</sub> reduction selectivity in MOFs: a first principles study.

Gavin A McCarver, Taner Yildirim, Wei Zhou

|Jan 16, 2024
High Accuracy <i>Ab Initio</i> Potential Energy Curves and Dipole Moment Functions for the <i>X</i><sup>1</sup>Σ<sup>+</sup> and <i>a</i><sup>3</sup>Π Spin States of the CF<sup>+</sup> Diatomic Molecule.

Gavin A McCarver, Robert J Hinde

|Oct 06, 2023
Catalyst Engineering for the Selective Reduction of CO<sub>2</sub> to CH<sub>4</sub> : A First-Principles Study on X-MOF-74 (X=Mg, Mn, Fe, Co, Ni, Cu, Zn).

Gavin A McCarver, Taner Yildirim, Wei Zhou

|Jun 21, 2022
A PEGylated Tin Porphyrin Complex for Electrocatalytic Proton Reduction: Mechanistic Insights into Main-Group-Element Catalysis.

Ashwin Chaturvedi, Gavin A McCarver, Soumalya Sinha

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Frequent Collaborators

3 joint publications

Wei Zhou

2 joint publications

Konstantinos D Vogiatzis

2 joint publications

Jianbing Jimmy Jiang

2 joint publications

Taner Yildirim

1 joint publications

Robert J Hinde

1 joint publications

Hayden A Evans

1 joint publications

Yongqiang Cheng

1 joint publications

Zeyu Deng

1 joint publications

Dan Zhao

1 joint publications

Pieremanuele Canepa

Frequent Collaborators

3 joint publications

Wei Zhou

2 joint publications

Konstantinos D Vogiatzis

2 joint publications

Jianbing Jimmy Jiang

2 joint publications

Taner Yildirim