Search

Catalysis

Working Paper

Machine Learning Identification of Active Sites in Graphite-Conjugated Catalysts

Kunal Lodaya, Nathan Ricke, Kelly Chen, Troy Van Voorhis

Version 1 posted 18 October 2022

248

Downloads

Physical Chemistry

Working Paper

Heterogeneous Pair Approximation of Methanol Oxidation on TiO2 Reveals Two Reaction Pathways

Changhae Andrew Kim, Troy Van Voorhis

Version 1 posted 18 November 2021

233

Downloads

Catalysis

Working Paper

Exploring Scaling Relations and Active Site Specificity of Graphite-Conjugated Catalysts Using Density Functional Theory

Nathan Ricke, Kelly Chen, Troy Van Voorhis

Version 1 posted 21 February 2023

120

Downloads

Physical Chemistry

Working Paper

Extracting Design Principles for Efficient Thermally Activated Delayed Fluorescence (TADF) from a Simple Four-State Model

Piotr de Silva, Changhae Andrew Kim, Tianyu Zhu, Troy Van Voorhis

Version 1 posted 18 March 2019

609

Downloads

Physical Chemistry

Working Paper

Toward Prediction of Nonradiative Decay Pathways in Organic Compounds II: Two Internal Conversion Channels in BODIPYs

Zhou Lin, Alexander Kohn, Troy Van Voorhis

Version 1 posted 03 September 2019

823

Downloads

Theoretical and Computational Chemistry

Working Paper

Towards Prediction of Non-Radiative Decay Pathways in Organic Compounds I: The Case of Naphthalene Quantum Yields

Alexander Kohn, Zhou Lin, Troy Van Voorhis

Version 1 posted 08 February 2019

849

Downloads

Catalysis

Working Paper

A Pyridinic Fe-N4 Macrocycle Effectively Models the Active Sites in Fe/N-Doped Carbon Electrocatalysts

Travis Marshall-Roth, Nicole J. Libretto, Alexandra T. Wrobel, Kevin Anderton, Nathan D. Ricke, Troy Van Voorhis, Jeffrey T. Miller, Yogesh Surendranath

Version 2 posted 24 March 2020

1,622

Downloads

Polymer Science

Working Paper

Polymer Metal-Organic Cage Gels Based on Cu24L24 Cuboctahedra: Design, Synthesis, and Additive Manufacturing Enabled by Three-State Photoswitching

Nathan J. Oldenhuis, Peter Qin, Shu Wang, Hong-Zhou Ye, Eric Alt, Adam Willard, Troy Van Voorhis, Stephen Craig, Jeremiah Johnson

Version 2 posted 09 September 2019

1,430

Downloads

Physical Chemistry

Working Paper

Understanding the Dipole Moment of Liquid Water from a Self-Attractive Hartree Decomposition

Tianyu Zhu, Troy Van Voorhis

Version 2 posted 03 December 2020

589

Downloads

Theoretical and Computational Chemistry

Working Paper

Maximizing TADF via Conformational Optimization

Changhae Andrew Kim, Troy Van Voorhis

Version 2 posted 06 August 2021

882

Downloads

Refine Search

11 results in Troy Van Voorhis in Authors: Troy Van Voorhis

Machine Learning Identification of Active Sites in Graphite-Conjugated Catalysts

Heterogeneous Pair Approximation of Methanol Oxidation on TiO2 Reveals Two Reaction Pathways

Exploring Scaling Relations and Active Site Specificity of Graphite-Conjugated Catalysts Using Density Functional Theory

Extracting Design Principles for Efficient Thermally Activated Delayed Fluorescence (TADF) from a Simple Four-State Model

Toward Prediction of Nonradiative Decay Pathways in Organic Compounds II: Two Internal Conversion Channels in BODIPYs

Towards Prediction of Non-Radiative Decay Pathways in Organic Compounds I: The Case of Naphthalene Quantum Yields

A Pyridinic Fe-N4 Macrocycle Effectively Models the Active Sites in Fe/N-Doped Carbon Electrocatalysts

Polymer Metal-Organic Cage Gels Based on Cu24L24 Cuboctahedra: Design, Synthesis, and Additive Manufacturing Enabled by Three-State Photoswitching

Understanding the Dipole Moment of Liquid Water from a Self-Attractive Hartree Decomposition

Maximizing TADF via Conformational Optimization

11 results in Authors: Troy Van Voorhis