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The Journal of Physical Chemistry. A
|
January 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
The Journal of Chemical Physics
|
September 23, 2021
High accuracy ab initio potential energy surface for the H<sub>2</sub>O-H van der Waals dimer
Gavin A McCarver, Robert J Hinde
Physical Chemistry Chemical Physics : PCCP
|
February 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
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 6, 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
Inorganic Chemistry
|
July 18, 2020
Selecting Quantum-Chemical Methods for Lanthanide-Containing Molecules: A Balance between Accuracy and Efficiency
Gavin A McCarver, Robert J Hinde, Konstantinos D Vogiatzis
Inorganic Chemistry
|
March 18, 2021
Electrocatalytic Dechlorination of Dichloromethane in Water Using a Heterogenized Molecular Copper Complex
Caroline K Williams, Gavin A McCarver, Amir Lashgari, et al.
Angewandte Chemie (International Ed. in English)
|
June 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, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 2, 2022
Electrocatalytic Hydrogen Evolution Using A Molecular Antimony Complex under Aqueous Conditions: An Experimental and Computational Study on Main-Group Element Catalysis
Caroline K Williams, Gavin A McCarver, Ashwin Chaturvedi, et al.
Journal of the American Chemical Society
|
March 30, 2023
Multivariate Flexible Framework with High Usable Hydrogen Capacity in a Reduced Pressure Swing Process
Arijit Halder, Ryan A Klein, Sarah Shulda, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
September 29, 2025
Temperature-Regulated Gating Enables Gas Separations in Ultramicroporous Aluminum Formate, ALF
Hayden A Evans, Taner Yildirim, Gavin A McCarver, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry. A
|
January 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
The Journal of Chemical Physics
|
September 23, 2021
High accuracy ab initio potential energy surface for the H<sub>2</sub>O-H van der Waals dimer
Gavin A McCarver, Robert J Hinde
Physical Chemistry Chemical Physics : PCCP
|
February 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
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 6, 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
Inorganic Chemistry
|
July 18, 2020
Selecting Quantum-Chemical Methods for Lanthanide-Containing Molecules: A Balance between Accuracy and Efficiency
Gavin A McCarver, Robert J Hinde, Konstantinos D Vogiatzis
Inorganic Chemistry
|
March 18, 2021
Electrocatalytic Dechlorination of Dichloromethane in Water Using a Heterogenized Molecular Copper Complex
Caroline K Williams, Gavin A McCarver, Amir Lashgari, et al.
Angewandte Chemie (International Ed. in English)
|
June 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, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 2, 2022
Electrocatalytic Hydrogen Evolution Using A Molecular Antimony Complex under Aqueous Conditions: An Experimental and Computational Study on Main-Group Element Catalysis
Caroline K Williams, Gavin A McCarver, Ashwin Chaturvedi, et al.
Journal of the American Chemical Society
|
March 30, 2023
Multivariate Flexible Framework with High Usable Hydrogen Capacity in a Reduced Pressure Swing Process
Arijit Halder, Ryan A Klein, Sarah Shulda, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
September 29, 2025
Temperature-Regulated Gating Enables Gas Separations in Ultramicroporous Aluminum Formate, ALF
Hayden A Evans, Taner Yildirim, Gavin A McCarver, et al.
Page
of 1