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6 results in Authors: Gavin McCarver

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

125

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Earth, Space, and Environmental Chemistry

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

99

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Chemical Education

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

113

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1

Citations

Theoretical and Computational Chemistry

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

221

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

Gavin McCarver, Taner Yildirim, Wei Zhou

Version 1 posted 26 September 2023

138

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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

118

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