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Carles Martí
Carles Martí
Postdoctoral Appointee
在 sandia.gov 的电子邮件经过验证
标题
引用次数
引用次数
年份
Density-functional tight-binding: basic concepts and applications to molecules and clusters
F Spiegelman, N Tarrat, J Cuny, L Dontot, E Posenitskiy, C Martí, A Simon, ...
Advances in physics: X 5 (1), 1710252, 2020
1312020
Methane production by CO2 hydrogenation reaction with and without solid phase catalysis
S Falcinelli, A Capriccioli, F Pirani, F Vecchiocattivi, S Stranges, C Martì, ...
Fuel 209, 802-811, 2017
342017
Automated reaction kinetics of gas-phase organic species over multiwell potential energy surfaces
J Zádor, C Martí, R Van de Vijver, SL Johansen, Y Yang, HA Michelsen, ...
The Journal of Physical Chemistry A 127 (3), 565-588, 2023
332023
DockOnSurf: a python code for the high-throughput screening of flexible molecules adsorbed on surfaces
C Marti, S Blanck, R Staub, S Loehlé, C Michel, SN Steinmann
Journal of Chemical Information and Modeling 61 (7), 3386-3396, 2021
212021
Comprehensive Kinetics on the C7H7 Potential Energy Surface under Combustion Conditions
C Martí, HA Michelsen, HN Najm, J Zádor
The Journal of Physical Chemistry A 127 (8), 1941-1959, 2023
142023
The Identity and Chemistry of C7H7 Radicals Observed during Soot Formation
JA Rundel, C Martí, J Zádor, PE Schrader, KO Johansson, RP Bambha, ...
The Journal of Physical Chemistry A 127 (13), 3000-3019, 2023
122023
(Dis) Similarities of adsorption of diverse functional groups over alumina and hematite depending on the surface state
S Blanck, C Martí, S Loehlé, SN Steinmann, C Michel
The Journal of Chemical Physics 154 (8), 2021
122021
A quantum-classical study of the OH+ H2 reactive and inelastic collisions
C Martí, L Pacifici, A Laganà, C Coletti
Chemical Physics Letters 674, 103-108, 2017
122017
The role of the long-range tail of the potential in O 2+ N 2 collisional inelastic vibrational energy transfers
E Garcia, F Pirani, A Lagana, C Martí
Physical Chemistry Chemical Physics 19 (18), 11206-11211, 2017
112017
Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O2 + N2 Collisions
A Kurnosov, M Cacciatore, F Pirani, A Lagana, C Martí, E Garcia
The Journal of Physical Chemistry A 121 (27), 5088-5099, 2017
82017
A quantum–classical study of the effect of the long range tail of the potential on reactive and inelastic OH+ H2 dynamics
C Martí, A Laganà, L Pacifici, F Pirani, C Coletti
Chemical Physics Letters 769, 138404, 2021
72021
KinBot 2.0. 2019
J Zádor, R Van De Vijver, C Martí, AL Dewyer
Accessed 2, 25, 2023
62023
Methane Production from H2 + CO2 Reaction: An Open Molecular Science Case for Computational and Experimental Studies
S Falcinelli, A Capriccioli, M Rosi, C Martì, M Parriani, A Laganà
Physchem 1 (1), 82-94, 2021
62021
Evaluation of Rate Coefficients in the Gas Phase Using Machine-Learned Potentials
C Martí, C Devereux, HN Najm, J Zádor
The Journal of Physical Chemistry A 128 (10), 1958-1971, 2024
22024
Direct Observation of Gas-Phase Hydroxymethylene: Photoionization and Kinetics Resulting from Methanol Photodissociation
EK Hockey, N McLane, C Martí, LA Duckett, DL Osborn, LG Dodson
Journal of the American Chemical Society, 2024
12024
Force training neural network potential energy surface models
C Devereux, Y Yang, C Martí, J Zádor, MS Eldred, HN Najm
International Journal of Chemical Kinetics, 2023
12023
Atmospheric Oxidation of Imidazole by Hydroxyl Radicals: Fate of Peroxyl Radical Products
T Golin Almeida, C Martí, T Kurtén, J Zádor, SL Johansen
EGU General Assembly Conference Abstracts, 9218, 2024
2024
Atmospheric Oxidation of Imidazole by Hydroxyl Radicals: Fate of Peroxyl Radical Products
TG Almeida, C Martí, T Kurtén, J Zádor, SL Johansen
EGU24, 2024
2024
Theoretical analysis of the OH-initiated atmospheric oxidation reactions of imidazole
TG Almeida, C Martí, T Kurtén, J Zádor, SL Johansen
Physical Chemistry Chemical Physics, 2024
2024
Collisional energy transfer: general discussion
D Babikov, MP Burke, P Casavecchia, WH Green, AG Dana, H Guo, ...
Faraday Discussions 238, 121-143, 2022
2022
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