Search

Catalysis

Working Paper

Controlling the CO2 Reduction Reaction through Dual-Atom Catalysts Embedded in Expanded Porphyrins: A DFT Study

Gavin McCarver, Taner Yildirim, Wei Zhou

Version 1 posted 22 September 2023

242

Downloads

Earth, Space, and Environmental Chemistry

Working Paper

High Accuracy, ab initio Potential Energy Curves and Dipole Moment Functions for the X1Σ+ and a3Π Spin States of the CF+ Diatomic Molecule

Gavin McCarver, Robert Hinde

Version 1 posted 25 September 2023

239

Downloads

Catalysis

Working Paper

Hetero-Bimetallic Paddlewheel Complexes for Enhanced CO2 Reduction Selectivity: A First Principles Study

Gavin McCarver, Taner Yildirim, Wei Zhou

Version 1 posted 28 September 2023

245

Downloads

Theoretical and Computational Chemistry

Working Paper

Catalyst Engineering for the Selective Reduction of CO2 to CH4; A First-Principles Study on X-MOF-74 (X = Mg, Mn, Fe, Co, Ni, Cu, Zn)

Gavin McCarver, Taner Yildirim, Wei Zhou

Version 2 posted 26 September 2023

405

Downloads

Chemical Education

Working Paper

VibHam: A Classroom Tool for Predicting the Rovibrational Spectra of Diatomic Molecule Beyond the Harmonic Oscillator Approximation

Gavin McCarver, Robert Hinde

Version 1 posted 03 January 2024

208

Downloads

1

Citations

Catalysis

Working Paper

Computational Examination of Transition Metal-Salen Complexes for the Reduction of CO2

Gavin McCarver, Taner Yildirim, Wei Zhou

Version 1 posted 26 September 2023

307

Downloads

Materials Chemistry

Working Paper

An Electrically Conducting, Redox-Complementary Dual-Ligand 2D Graphitic MOF with Orthogonal Charge Transport Pathways

Shiyu Zhang, Weikang Zhang, Ashok Yadav, Mohd Ansari, Jonathan Cromer, Jorge Barroso, Gavin McCarver, Wei Zhou, Sourav Saha

Version 1 posted 12 December 2024

267

Downloads

Materials Science

Working Paper

Temperature-Regulated Gating Enables Gas Separations in Ultramicroporous Aluminum Formate, ALF

Hayden Evans, Taner Yildirim, Gavin McCarver, Thuc Mai, Yongqiang Cheng, Zeyu Deng, Ryan Klein, Dan Zhao, Pieremanuele Canepa, Angela Hight Walker, Anthony Cheetham, Craig Brown

Version 1 posted 13 March 2025

133

Downloads

Refine Search

8 results in Gavin McCarver in Authors: Gavin McCarver

Controlling the CO2 Reduction Reaction through Dual-Atom Catalysts Embedded in Expanded Porphyrins: A DFT Study

High Accuracy, ab initio Potential Energy Curves and Dipole Moment Functions for the X1Σ+ and a3Π Spin States of the CF+ Diatomic Molecule

Hetero-Bimetallic Paddlewheel Complexes for Enhanced CO2 Reduction Selectivity: A First Principles Study

Catalyst Engineering for the Selective Reduction of CO2 to CH4; A First-Principles Study on X-MOF-74 (X = Mg, Mn, Fe, Co, Ni, Cu, Zn)

VibHam: A Classroom Tool for Predicting the Rovibrational Spectra of Diatomic Molecule Beyond the Harmonic Oscillator Approximation

Computational Examination of Transition Metal-Salen Complexes for the Reduction of CO2

An Electrically Conducting, Redox-Complementary Dual-Ligand 2D Graphitic MOF with Orthogonal Charge Transport Pathways

Temperature-Regulated Gating Enables Gas Separations in Ultramicroporous Aluminum Formate, ALF

8 results in Authors: Gavin McCarver