Pascal Honvault
Overview
Explore the profile of Pascal Honvault including associated specialties, affiliations and a list of published articles.
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Articles
41
Citations
55
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Recent Articles
1.
Guillon G, Honvault P
J Chem Theory Comput
. 2025 Jan;
21(3):1039-1045.
PMID: 39825805
We report full quantum-computed average microcanonical, initial state-specific, and canonical cumulative time-delays associated with the O + O scattering, presented as a function of total energy (in relation to an...
2.
Guillon G, Lepers M, Tak A, Rajagopala Rao T, Honvault P
J Phys Chem A
. 2023 Aug;
127(35):7344-7352.
PMID: 37624914
We report full quantum reaction probabilities, computed within the framework of time-independent quantum mechanics using hyperspherical coordinates, for the N + NN inelastic and reactive collision processes, restricted to total...
3.
Privat E, Guillon G, Honvault P
J Chem Phys
. 2021 Mar;
154(10):104303.
PMID: 33722056
We report full quantum dynamical calculations for lifetimes of scattering resonances, among which are true metastable states, of the intermediate heavy ozone complex O of the O + OO reaction,...
4.
Privat E, Guillon G, Honvault P
J Chem Theory Comput
. 2019 Aug;
15(10):5194-5198.
PMID: 31469567
Scattering computations, particularly within the realm of molecular physics, have seen an increase in study since the development of powerful quantum methods. These dynamical processes can be analyzed via (among...
5.
Guillon G, Honvault P, Kochanov R, Tyuterev V
J Phys Chem Lett
. 2018 Mar;
9(8):1931-1936.
PMID: 29595990
We show, by performing exact time-independent quantum molecular scattering calculations, that the quality of the ground electronic state global potential energy surface appears to be of utmost importance in accurately...
6.
Guillon G, Honvault P
J Phys Chem A
. 2016 Oct;
120(42):8254-8258.
PMID: 27712065
We report full quantum integral and differential cross sections and rate constants for the O + O reactive process. This constitutes the first quantum scattering study of the OOO system....
7.
Rajagopala Rao T, Guillon G, Mahapatra S, Honvault P
J Phys Chem A
. 2015 Nov;
119(46):11432-9.
PMID: 26524085
We report rotationally resolved opacity functions, product rotational distributions, and differential cross sections for the (16)O + (16)O(16)O (v = 0,j = 1) → (16)O(16)O (v' = 0,j') + (16)O...
8.
Guillon G, Rajagopala Rao T, Mahapatra S, Honvault P
J Phys Chem A
. 2015 Oct;
119(50):12512-6.
PMID: 26437007
We report full quantum cross sections and rate constants for the (18)O + (36)O2 → (36)O2 + (18)O collision process. This constitutes to the best of our knowledge the first...
9.
Werfelli G, Halvick P, Honvault P, Kerkeni B, Stoecklin T
J Chem Phys
. 2015 Sep;
143(11):114304.
PMID: 26395702
The observed abundances of the methylidyne cation, CH(+), in diffuse molecular clouds can be two orders of magnitude higher than the prediction of the standard gas-phase models which, in turn,...
10.
Rajagopala Rao T, Guillon G, Mahapatra S, Honvault P
J Phys Chem Lett
. 2015 Aug;
6(4):633-6.
PMID: 26262478
We report extensive, full quantum-mechanical calculations for the (16)O + (16)O(16)O → (16)O(16)O + (16)O collisions, for both inelastic and atom exchange processes, using a time-independent method based on hyperspherical...