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Menon, Angiras
54
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Online (54)
Mediatypes
Articles (Online) (22)
OpenAccess-fulltext (32)
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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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
1-15