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Menon, Angiras
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1

Toward Accurate Quantum Mechanical Thermochemistry: (1) Ext..:

Wu, Haoyang ; Payne, A. Mark ; Pang, Hao-Wei...
The Journal of Physical Chemistry A.  128 (2024)  21 - p. 4335-4352 , 2024
Link: https://doi.org/10.1021/..
 
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2

When Do Quantum Mechanical Descriptors Help Graph Neural Ne..:

Li, Shih-Cheng ; Wu, Haoyang ; Menon, Angiras...
Journal of the American Chemical Society.  , 2024
Link: https://doi.org/10.1021/..
 
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3

ConfSolv: Prediction of Solute Conformer-Free Energies acro..:

Pattanaik, Lagnajit ; Menon, Angiras ; Settels, Volker...
The Journal of Physical Chemistry B.  127 (2023)  47 - p. 10151-10170 , 2023
Link: https://doi.org/10.1021/..
 
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4

OntoPESScan: An Ontology for Potential Energy Surface Scans:

Menon, Angiras ; Pascazio, Laura ; Nurkowski, Daniel...
ACS Omega.  8 (2023)  2 - p. 2462-2475 , 2023
Link: https://doi.org/10.1021/..
 
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5

Automated Rational Design of Metal–Organic Polyhedra:

Kondinski, Aleksandar ; Menon, Angiras ; Nurkowski, Daniel...
Journal of the American Chemical Society.  144 (2022)  26 - p. 11713-11728 , 2022
Link: https://doi.org/10.1021/..
 
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6

Question answering system for chemistry—A semantic agent ex..:

Zhou, Xiaochi ; Nurkowski, Daniel ; Menon, Angiras...
Digital Chemical Engineering.  3 (2022)  - p. 100032 , 2022
Link: https://doi.org/10.1016/..
 
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7

Kinetic Monte Carlo statistics of curvature integration by ..:

Leon, Gustavo ; Menon, Angiras ; Pascazio, Laura...
Proceedings of the Combustion Institute.  38 (2021)  1 - p. 1449-1457 , 2021
Link: https://doi.org/10.1016/..
 
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8

Predicting Power Conversion Efficiency of Organic Photovolt..:

Eibeck, Andreas ; Nurkowski, Daniel ; Menon, Angiras...
ACS Omega.  6 (2021)  37 - p. 23764-23775 , 2021
Link: https://doi.org/10.1021/..
 
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9

π-Diradical Aromatic Soot Precursors in Flames:

Martin, Jacob W. ; Pascazio, Laura ; Menon, Angiras...
Journal of the American Chemical Society.  143 (2021)  31 - p. 12212-12219 , 2021
Link: https://doi.org/10.1021/..
 
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10

Aromatic penta-linked hydrocarbons in soot nanoparticle for..:

Pascazio, Laura ; Martin, Jacob W. ; Menon, Angiras...
Proceedings of the Combustion Institute.  38 (2021)  1 - p. 1525-1532 , 2021
Link: https://doi.org/10.1016/..
 
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11

Reactive localized π-radicals on rim-based pentagonal rings..:

Menon, Angiras ; Martin, Jacob W. ; Leon, Gustavo...
Proceedings of the Combustion Institute.  38 (2021)  1 - p. 565-573 , 2021
Link: https://doi.org/10.1016/..
 
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12

A density functional theory study on the kinetics of seven-..:

Menon, Angiras ; Leon, Gustavo ; Akroyd, Jethro.
Combustion and Flame.  217 (2020)  - p. 152-174 , 2020
Link: https://doi.org/10.1016/..
 
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13

Multiscale Cross-Domain Thermochemical Knowledge-Graph:

Mosbach, Sebastian ; Menon, Angiras ; Farazi, Feroz...
Journal of Chemical Information and Modeling.  60 (2020)  12 - p. 6155-6166 , 2020
Link: https://doi.org/10.1021/..
 
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14

Reactivity of Polycyclic Aromatic Hydrocarbon Soot Precurso..:

Menon, Angiras ; Martin, Jacob W. ; Akroyd, Jethro.
The Journal of Physical Chemistry A.  124 (2020)  48 - p. 10040-10052 , 2020
Link: https://doi.org/10.1021/..
 
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15

Linking reaction mechanisms and quantum chemistry: An ontol..:

Farazi, Feroz ; Krdzavac, Nenad B. ; Akroyd, Jethro...
Computers & Chemical Engineering.  137 (2020)  - p. 106813 , 2020
Link: https://doi.org/10.1016/..
 
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