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The Journal of Physical Chemistry. A
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November 17, 2020
Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precursors: Kinetics and Equilibria
Angiras Menon, Jacob W Martin, Jethro Akroyd, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 12, 2025
Revisiting a large and diverse data set for barrier heights and reaction energies: best practices in density functional theory calculations for chemical kinetics
Xiao Liu, Kevin A Spiekermann, Angiras Menon, et al.
ACS Omega
|
January 23, 2023
OntoPESScan: An Ontology for Potential Energy Surface Scans
Angiras Menon, Laura Pascazio, Daniel Nurkowski, et al.
Journal of Chemical Information and Modeling
|
November 26, 2020
Multiscale Cross-Domain Thermochemical Knowledge-Graph
Sebastian Mosbach, Angiras Menon, Feroz Farazi, et al.
Journal of the American Chemical Society
|
June 22, 2022
Automated Rational Design of Metal-Organic Polyhedra
Aleksandar Kondinski, Angiras Menon, Daniel Nurkowski, et al.
Journal of the American Chemical Society
|
August 6, 2024
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties?
Shih-Cheng Li, Haoyang Wu, Angiras Menon, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2019
Optical band gap of cross-linked, curved, and radical polyaromatic hydrocarbons
Angiras Menon, Jochen A H Dreyer, Jacob W Martin, et al.
Journal of Chemical Information and Modeling
|
June 1, 2019
An Ontology and Semantic Web Service for Quantum Chemistry Calculations
Nenad Krdzavac, Sebastian Mosbach, Daniel Nurkowski, et al.
ACS Omega
|
September 27, 2021
Predicting Power Conversion Efficiency of Organic Photovoltaics: Models and Data Analysis
Andreas Eibeck, Daniel Nurkowski, Angiras Menon, et al.
The Journal of Physical Chemistry. A
|
September 19, 2024
Accurately Predicting Barrier Heights for Radical Reactions in Solution Using Deep Graph Networks
Kevin A Spiekermann, Xiaorui Dong, Angiras Menon, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. A
|
November 17, 2020
Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precursors: Kinetics and Equilibria
Angiras Menon, Jacob W Martin, Jethro Akroyd, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 12, 2025
Revisiting a large and diverse data set for barrier heights and reaction energies: best practices in density functional theory calculations for chemical kinetics
Xiao Liu, Kevin A Spiekermann, Angiras Menon, et al.
ACS Omega
|
January 23, 2023
OntoPESScan: An Ontology for Potential Energy Surface Scans
Angiras Menon, Laura Pascazio, Daniel Nurkowski, et al.
Journal of Chemical Information and Modeling
|
November 26, 2020
Multiscale Cross-Domain Thermochemical Knowledge-Graph
Sebastian Mosbach, Angiras Menon, Feroz Farazi, et al.
Journal of the American Chemical Society
|
June 22, 2022
Automated Rational Design of Metal-Organic Polyhedra
Aleksandar Kondinski, Angiras Menon, Daniel Nurkowski, et al.
Journal of the American Chemical Society
|
August 6, 2024
When Do Quantum Mechanical Descriptors Help Graph Neural Networks to Predict Chemical Properties?
Shih-Cheng Li, Haoyang Wu, Angiras Menon, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2019
Optical band gap of cross-linked, curved, and radical polyaromatic hydrocarbons
Angiras Menon, Jochen A H Dreyer, Jacob W Martin, et al.
Journal of Chemical Information and Modeling
|
June 1, 2019
An Ontology and Semantic Web Service for Quantum Chemistry Calculations
Nenad Krdzavac, Sebastian Mosbach, Daniel Nurkowski, et al.
ACS Omega
|
September 27, 2021
Predicting Power Conversion Efficiency of Organic Photovoltaics: Models and Data Analysis
Andreas Eibeck, Daniel Nurkowski, Angiras Menon, et al.
The Journal of Physical Chemistry. A
|
September 19, 2024
Accurately Predicting Barrier Heights for Radical Reactions in Solution Using Deep Graph Networks
Kevin A Spiekermann, Xiaorui Dong, Angiras Menon, et al.
Page
of 2