PUBLICATIONS |
1 |
Quantum mechanical study of the high-temperature H+ + HD -> D+ + H-2 reaction for the primordial universe chemistry (vol 488, pg 4732, 2020)
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Maxence Lepers, Gregoire Guillon, Pascal Honvault,
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Mon. Not. Roy. Astron. Soc.
,
500,
430-431,
2021.
Citation : 0.
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2 |
Direct time delay computation applied to the O + O-2 exchange reaction at low energy: Lifetime spectrum of O3*species
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Erwan Privat, Gregoire Guillon, Pascal Honvault,
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J. Chem. Phys.
,
154,
104303,
2021.
Citation : 0.
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3 |
Differential cross sections and product ro-vibrational distributions for O-16+O-36(2) and O-18+O-32(2) exchange reactions
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Srikanth Korutla, Gregoire Guillon, Pascal Honvault, Tammineni Rajagopala Rao,
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Chem. Phys. Lett.
,
776,
138648,
2021.
Citation : 0.
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4 |
Quantum dynamics of O-17 in collision with ortho- and para-(OO)-O-17-O-17
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Gregoire Guillon, Maxence Lepers, Pascal Honvault,
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Phys. Rev. A
,
102,
012810,
2020.
Citation : 2.
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5 |
Quantum mechanical study of the high-temperature H+ + HD -> D+ + H-2 reaction for the primordial universe chemistry
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Maxence Lepers, Gregoire Guillon, Pascal Honvault,
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Mon. Not. Roy. Astron. Soc.
,
488,
4732-4739,
2019.
Citation : 1.
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6 |
Extension of the Launay Quantum Reactive Scattering Code and Direct Computation of Time Delays
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Erwan Privat, Gregoire Guillon, Pascal Honvault,
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J. Chem. Theory Comput.
,
15,
5194-5198,
2019.
Citation : 2.
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7 |
Dependence on collision energy of the stereodynamical properties of the O-18+O-32(2) exchange reaction
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E. Privat, G. Guillon, P. Honvault,
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Mol. Phys.
,
116,
1635-1641,
2018.
Citation : 1.
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8 |
First-Principles Computed Rate Constant for the O + O-2 Isotopic Exchange Reaction Now Matches Experiment
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Gregoire Guillon, Pascal Honvault, Roman Kochanov, Vladimir Tyuterev,
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J. Phys. Chem. Lett.
,
9,
1931-1936,
2018.
Citation : 19.
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9 |
Quantum mechanical study of the O-16+(OO)-O-18-O-18 -> (OO)-O-16-O-18+O-18 exchange reaction: Integral cross sections and rate constants
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P. Honvault, G. Guillon, R. Kochanov, V. Tyuterev,
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J. Chem. Phys.
,
149,
214304,
2018.
Citation : 12.
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10 |
A theoretical study on the C plus OH reaction dynamics and product energy disposal with vibrationally excited reagent
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Sugata Goswami, Jayakrushna Sahoo, Tammineni Rajagopala Rao, Beatrice Bussery-Honvault, Pascal Honvault, Susanta Mahapatra,
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Eur. Phys. J. D
,
72,
225,
2018.
Citation : 3.
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11 |
Effect of internal excitations of reagent diatom on initial state-selected dynamics of C plus OH reaction on its second excited (1(4)A '') electronic state*
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Sugata Goswami, B. Bussery-Honvault, P. Honvault, S. Mahapatra,
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Mol. Phys.
,
115,
2658-2672,
2017.
Citation : 5.
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12 |
Rovibrational transitions of H-2 by collision with H+ at high temperature
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T. Gonzalez-Lezana, P. Honvault,
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Mon. Not. Roy. Astron. Soc.
,
467,
1294-1299,
2017.
Citation : 5.
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13 |
State-to-state chemistry and rotational excitation of CH+ in photon-dominated regions
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A. Faure, P. Halvick, T. Stoecklin, P. Honvault, M. D. Epee Epee, J. Zs. Mezei, O. Motapon, I. F. Schneider, J. Tennyson, O. Roncero, N. Bulut, A. Zanchet,
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Mon. Not. Roy. Astron. Soc.
,
469,
612-620,
2017.
Citation : 21.
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14 |
Quantum stereodynamics of the O-18+(OO)-O-16-O-16 -> (OO)-O-16-O-18+O-16 exchange reaction at low collision energy
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Erwan Privat, Gregoire Guillon, Pascal Honvault,
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Chem. Phys. Lett.
,
685,
427-431,
2017.
Citation : 3.
|
15 |
Quantum dynamics of O-16 in collision with ortho- and para-(OO)-O-17-O-17
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Gregoire Guillon, Pascal Honvault,
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Chem. Phys. Lett.
,
689,
62-67,
2017.
Citation : 1.
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16 |
Quantum Dynamics of the O-17+O-32(2) Collision Process
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Gregoire Guillon, Pascal Honvault,
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J. Phys. Chem. A
,
120,
8254-8258,
2016.
Citation : 4.
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17 |
Huge Quantum Symmetry Effect in the O + O-2 Exchange Reaction
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Tanimineni Rajagopala Rao, Gregoire Guillon, Susanta Mahapatra, Pascal Honvault,
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J. Phys. Chem. Lett.
,
6,
633-636,
2015.
Citation : 22.
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18 |
THE 2014 KIDA NETWORK FOR INTERSTELLAR CHEMISTRY
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V. Wakelam, J. -C. Loison, E. Herbst, B. Pavone, A. Bergeat, K. Beroff, M. Chabot, A. Faure, D. Galli, W. D. Geppert, D. Gerlich, P. Gratier, N. Harada, K. M. Hickson, P. Honvault, S. J. Klippenstein, S. D. Le Picard, G. Nyman, M. Ruaud, S. Schlemmer, I. R. Sims, D. Talbi, J. Tennyson, R. Wester,
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Astrophys. J. Suppl. Ser.
,
217,
20,
2015.
Citation : 189.
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19 |
Quantum dynamics of O-16+O-36(2) and O-18+O-32(2) exchange reactions
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T. Rajagopala Rao, G. Guillon, S. Mahapatra, P. Honvault,
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J. Chem. Phys.
,
142,
174311,
2015.
Citation : 25.
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20 |
Low temperature rate coefficients of the H + CH+ -> C+ + H-2 reaction: New potential energy surface and time-independent quantum scattering
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Ghofran Werfelli, Philippe Halvick, Pascal Honvault, Boutheina Kerkeni, Thierry Stoecklin,
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J. Chem. Phys.
,
143,
114304,
2015.
Citation : 18.
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21 |
Differential Cross Sections and Product Rovibrational Distributions for O-16+O-32(2) and O-18+O-36(2) Collisions
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Tammineni Rajagopala Rao, Gregoire Guillon, Susanta Mahapatra, Pascal Honvault,
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J. Phys. Chem. A
,
119,
11432-11439,
2015.
Citation : 4.
|
22 |
Quantum Dynamics of the O-18+O-36(2) Collision Process
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Gregoire Guillon, Tammineni Rajagopala Rao, Susanta Mahapatra, Pascal Honvault,
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J. Phys. Chem. A
,
119,
12512-12516,
2015.
Citation : 4.
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23 |
Ortho-para-H2 conversion processes in astrophysical media
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Francois Lique, Pascal Honvault, Alexandre Faure,
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Int. Rev. Phys. Chem.
,
33,
125-149,
2014.
Citation : 12.
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24 |
Quantum dynamical study of the O(D-1) + CH4 -> CH3 + OH atmospheric reaction
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R. Ben Bouchrit, M. Jorfi, D. Ben Abdallah, N. Jaidane, M. Gonzalez, B. Bussery-Honvault, P. Honvault,
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J. Chem. Phys.
,
140,
244315,
2014.
Citation : 3.
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25 |
The H+ + H-2 reaction
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Tomas Gonzalez-Lezana, Pascal Honvault,
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Int. Rev. Phys. Chem.
,
33,
371-395,
2014.
Citation : 22.
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26 |
Time-Dependent Quantum Wave Packet Dynamics of S plus OH Reaction on Its Electronic Ground State
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Sugata Goswami, T. Rajagopala Rao, S. Mahapatra, B. Bussery-Honvault, P. Honvault,
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J. Phys. Chem. A
,
118,
5915-5926,
2014.
Citation : 9.
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27 |
A comparative account of quantum dynamics of the H+ + H-2 reaction at low temperature on two different potential energy surfaces
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T. Rajagopala Rao, S. Mahapatra, P. Honvault,
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J. Chem. Phys.
,
141,
064306,
2014.
Citation : 3.
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28 |
The D+ + H-2 Reaction: Differential and Integral Cross Sections at Low Energy and Rate Constants at Low Temperature
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Tomas Gonzalez-Lezana, Yohann Scribano, Pascal Honvault,
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J. Phys. Chem. A
,
118,
6416-6424,
2014.
Citation : 17.
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29 |
Ortho-H-2 and the age of prestellar cores
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L. Pagani, P. Lesaffre, M. Jorfi, P. Honvault, T. Gonzalez-Lezana, A. Faure,
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Astron. Astrophys.
,
551,
,
2013.
Citation : 45.
|
30 |
Time-dependent quantum wave packet dynamics of the C+OH reaction on the excited electronic state
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T. Rajagopala Rao, Sugata Goswami, S. Mahapatra, B. Bussery-Honvault, P. Honvault,
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|
J. Chem. Phys.
,
138,
094318,
2013.
Citation : 16.
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31 |
Quasiclassical Trajectory and Statistical Quantum Calculations for the C plus OH -> CO plus H Reaction on the First Excited 1(2)A '' Potential Energy Surface
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M. Jorfi, T. Gonzalez-Lezana, A. Zanchet, P. Honvault, B. Bussery-Honvault,
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J. Phys. Chem. A
,
117,
1872-1879,
2013.
Citation : 3.
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32 |
Dynamics of the D+ +H-2 -> HD + H+ reaction at the low energy regime by means of a statistical quantum method
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Tomas Gonzalez-Lezana, Pascal Honvault, Yohann Scribano,
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|
J. Chem. Phys.
,
139,
054301,
2013.
Citation : 24.
|
33 |
State-to-State Quantum Mechanical Calculations of Rate Coefficients for the D+ + H-2 -> HD + H+ Reaction at Low Temperature
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P. Honvault, Y. Scribano,
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J. Phys. Chem. A
,
117,
9778-9784,
2013.
Citation : 16.
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34 |
A KINETIC DATABASE FOR ASTROCHEMISTRY (KIDA)
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V. Wakelam, E. Herbst, J. -C. Loison, I. W. M. Smith, V. Chandrasekaran, B. Pavone, N. G. Adams, M. -C. Bacchus-Montabonel, A. Bergeat, K. Beroff, V. M. Bierbaum, M. Chabot, A. Dalgarno, E. F. van Dishoeck, A. Faure, W. D. Geppert, D. Gerlich, D. Galli, E. Hebrard, F. Hersant, K. M. Hickson, P. Honvault, S. J. Klippenstein, S. Le Picard, G. Nyman, P. Pernot, S. Schlemmer, F. Selsis, I. R. Sims, D. Talbi, J. Tennyson, J. Troe, R. Wester, L. Wiesenfeld,
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Astrophys. J. Suppl. Ser.
,
199,
21,
2012.
Citation : 307.
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35 |
An accurate study of the dynamics of the C plus OH reaction on the second excited 1(4)A '' potential energy surface
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A. Zanchet, T. Gonzalez-Lezana, O. Roncero, M. Jorfi, P. Honvault, M. Hankel,
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J. Chem. Phys.
,
136,
164309,
2012.
Citation : 8.
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36 |
Asymptotic potentials and rate constants in the adiabatic capture centrifugal sudden approximation for X + OH(X-2 Pi) -> OX + H(S-2) reactions where X = O(P-3), S(P-3) or N(S-4)
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Thierry Stoecklin, Beatrice Bussery-Honvault, Pascal Honvault, F. Dayou,
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Comput. Theor. Chem.
,
990,
39-46,
2012.
Citation : 7.
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37 |
Ortho-para-H-2 conversion by hydrogen exchange: Comparison of theory and experiment
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Francois Lique, Pascal Honvault, Alexandre Faure,
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J. Chem. Phys.
,
137,
154303,
2012.
Citation : 15.
|
38 |
H-2, H-3(+) and the age of molecular clouds and prestellar cores
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L. Pagani, P. Lesaffre, E. Roueff, M. Jorfi, P. Honvault, T. Gonzalez-Lezana, A. Faure,
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Philos. Trans. R. Soc. A-Math. Phys. Eng. Sci.
,
370,
5200-5212,
2012.
Citation : 14.
|
39 |
Quantum mechanical study of the proton exchange in the ortho-para H-2 conversion reaction at low temperature
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P. Honvault, M. Jorfi, T. Gonzalez-Lezana, A. Faure, L. Pagani,
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Phys. Chem. Chem. Phys.
,
13,
19089-19100,
2011.
Citation : 20.
|
40 |
Quasi-classical trajectory study of the S+OH -> SO+H reaction: from reaction probability to thermal rate constant
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Mohamed Jorfi, Pascal Honvault,
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|
Phys. Chem. Chem. Phys.
,
13,
8414-8421,
2011.
Citation : 12.
|
41 |
Influence of ro-vibrational and isotope effects on the dynamics of the C(3P)+ OD(X2) CO(X1 sigma+) + D(2S) reaction
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Mohamed Jorfi, Pascal Honvault, Beatrice Bussery-Honvault, Luis Banares, Niyazi Bulut,
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Mol. Phys.
,
109,
543-550,
2011.
Citation : 6.
|
42 |
Oxygen depletion in dense molecular clouds: a clue to a low O-2 abundance?
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|
U. Hincelin, V. Wakelam, F. Hersant, S. Guilloteau, J. C. Loison, P. Honvault, J. Troe,
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Astron. Astrophys.
,
530,
,
2011.
Citation : 101.
|
43 |
Ortho-Para H-2 Conversion by Proton Exchange at Low Temperature: An Accurate Quantum Mechanical Study
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P. Honvault, M. Jorfi, T. Gonzalez-Lezana, A. Faure, L. Pagani,
|
|
Phys. Rev. Lett.
,
107,
023201,
2011.
Citation : 59.
|
44 |
State-to-State Quantum Dynamics Calculations of the C plus OH Reaction on the Second Excited Potential Energy Surface
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M. Jorfi, P. Honvault,
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|
J. Phys. Chem. A
,
115,
8791-8796,
2011.
Citation : 8.
|
45 |
Accurate time dependent wave packet calculations for the N plus OH reaction
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Niyazi Bulut, Octavio Roncero, Mohamed Jorfi, Pascal Honvault,
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|
J. Chem. Phys.
,
135,
104307,
2011.
Citation : 17.
|
46 |
Nonadiabatic quantum dynamics of C(D-1)+H-2 -> CH+H: Coupled-channel calculations including Renner-Teller and Coriolis terms
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Paolo Defazio, Beatrice Bussery-Honvault, Pascal Honvault, Carlo Petrongolo,
|
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J. Chem. Phys.
,
135,
114308,
2011.
Citation : 34.
|
47 |
Revealing Atom-Radical Reactivity at Low Temperature Through the N plus OH Reaction
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Julien Daranlot, Mohamed Jorfi, Changjian Xie, Astrid Bergeat, Michel Costes, Philippe Caubet, Daiqian Xie, Hua Guo, Pascal Honvault, Kevin M. Hickson,
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Science
,
334,
1538-1541,
2011.
Citation : 59.
|
48 |
Dynamics of the C(D-1)+H-2 reaction: A comparison of crossed molecular beam experiments with quantum mechanical and quasiclassical trajectory calculations on the first two singlet (1(1)A ' and 1(1)A '') potential energy surfaces
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Nadia Balucani, Piergiorgio Casavecchia, F. J. Aoiz, Luis Banares, Jean-Michel Launay, Beatrice Bussery-Honvault, Pascal Honvault,
|
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Mol. Phys.
,
108,
373-380,
2010.
Citation : 24.
|
49 |
Quantum dynamics of the C(D-1)+HD and C(D-1)+n-D-2 reactions on the a approximate to (1)A(') and b approximate to (1)A(') surfaces
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Paolo Defazio, Pablo Gamallo, Miguel Gonzalez, Sinan Akpinar, Beatrice Bussery-Honvault, Pascal Honvault, Carlo Petrongolo,
|
|
J. Chem. Phys.
,
132,
104306,
2010.
Citation : 23.
|
50 |
Quantum Dynamics at the State-to-State Level of the C plus OH Reaction on the First Excited Potential Energy Surface
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M. Jorfi, P. Honvault,
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J. Phys. Chem. A
,
114,
4742-4747,
2010.
Citation : 11.
|
51 |
Theoretical Sensitivity of the C(P-3) + OH(X-2 Pi) -> CO(X-1 Sigma(+)) + H(S-2) Rate Constant: The Role of the Long-Range Potential
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Mohamed Jorfi, Beatrice Bussery-Honvault, Pascal Honvault, Thierry Stoecklin, Pascal Larregaray, Philippe Halvick,
|
|
J. Phys. Chem. A
,
114,
7494-7499,
2010.
Citation : 11.
|
52 |
Quantum dynamics of the S plus OH -> SO plus H reaction
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Mohamed Jorfi, Pascal Honvault,
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J. Chem. Phys.
,
133,
144315,
2010.
Citation : 14.
|
53 |
Study of the C(P-3) + OH(X-2 Pi) -> CO(a(3)Pi) + H(S-2) reaction: fully global ab initio potential energy surfaces of the 1(2)A '' and 1(4)A '' excited states and non adiabatic couplings
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Alexandre Zanchet, Beatrice Bussery-Honvault, Mohamed Jorfi, Pascal Honvault,
|
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Phys. Chem. Chem. Phys.
,
11,
6182-6191,
2009.
Citation : 27.
|
54 |
Quasi-classical determination of integral cross-sections and rate constants for the N plus OH -> NO plus H reaction
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M. Jorfi, P. Honvault, P. Halvick,
|
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Chem. Phys. Lett.
,
471,
65-70,
2009.
Citation : 33.
|
55 |
State-to-State Quantum Dynamical Study of the N plus OH -> NO plus H Reaction
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M. Jorfi, P. Honvault,
|
|
J. Phys. Chem. A
,
113,
2316-2322,
2009.
Citation : 22.
|
56 |
On the statistical behavior of the O plus OH -> H+O-2 reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations
|
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Mohamed Jorfi, Pascal Honvault, Pedro Bargueno, Tomys Gonzalez-Lezana, Pascal Larregaray, Laurent Bonnet, Philippe Halvick,
|
|
J. Chem. Phys.
,
130,
184301,
2009.
Citation : 44.
|
57 |
Time-dependent wave packet and quasiclassical trajectory study of the C(P-3)+OH(X (2)Pi)-> CO(X (1)Sigma(+))+H(S-2) reaction at the state-to-state level
|
|
Niyazi Bulut, Alexandre Zanchet, Pascal Honvault, Beatrice Bussery-Honvault, Luis Banares,
|
|
J. Chem. Phys.
,
130,
194303,
2009.
Citation : 30.
|
58 |
Effects of the rotational excitation of D-2 and of the potential energy surface on the H++D-2 -> HD+D+ reaction
|
|
T. Gonzalez-Lezana, P. Honvault, P. G. Jambrina, F. J. Aoiz, J. -M. Launay,
|
|
J. Chem. Phys.
,
131,
044315,
2009.
Citation : 26.
|
59 |
Quasiclassical trajectory calculations of differential cross sections and product energy distributions for the N plus OH -> NO plus H reaction
|
|
Mohamed Jorfi, Pascal Honvault, Philippe Halvick,
|
|
J. Chem. Phys.
,
131,
094302,
2009.
Citation : 17.
|
60 |
Born-Oppenheimer quantum dynamics of the C(D-1)+H-2 reaction on the CH2 (a)over-tilde (1)A(1) and (b)over-tilde B-1(1) surfaces
|
|
Paolo Defazio, Carlo Petrongolo, Beatrice Bussery-Honvault, Pascal Honvault,
|
|
J. Chem. Phys.
,
131,
114303,
2009.
Citation : 23.
|
61 |
State-to-State Quantum Reactive Scattering Calculations and Rate Constant for Nitrogen Atoms in Collision with NO Radicals at Low Temperatures
|
|
A. Jorfi, P. Honvault,
|
|
J. Phys. Chem. A
,
113,
10648-10651,
2009.
Citation : 17.
|
62 |
O+OH -> O-2+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment
|
|
F. Lique, M. Jorfi, P. Honvault, P. Halvick, S. Y. Lin, H. Guo, D. Q. Xie, P. J. Dagdigian, J. Klos, M. H. Alexander,
|
|
J. Chem. Phys.
,
131,
221104,
2009.
Citation : 57.
|
63 |
Accurate quantum mechanical calculations of differential and integral cross sections and rate constant for the O+OH reaction using an ab initio potential energy surface
|
|
Shi Ying Lin, Hua Guo, Pascal Honvault, Chuanxiu Xu, Daiqian Xie,
|
|
J. Chem. Phys.
,
128,
014303,
2008.
Citation : 53.
|
64 |
On the dynamics of the H++D-2(v=0, j=0) -> HD + D+ reaction: A comparison between theory and experiment
|
|
Estela Carmona-Novillo, Tomas Gonzalez-Lezana, Octavio Roncero, Pascal Honvault, Jean-Michel Launay, Niyazi Bulut, F. Javier Aoiz, Luis Banares, Alexandre Trottier, Eckart Wrede,
|
|
J. Chem. Phys.
,
128,
014304,
2008.
Citation : 49.
|
65 |
Fully Coriolis-coupled quantum studies of the H+O-2 (v(i)=0-2, j(i)=0,1) -> OH+O reaction on an accurate potential energy surface: Integral cross sections and rate constants
|
|
Shi Ying Lin, Zhigang Sun, Hua Guo, Dong Hui Zhang, Pascal Honvault, Daiqian Xie, Soo-Y. Leo,
|
|
J. Phys. Chem. A
,
112,
602-611,
2008.
Citation : 40.
|
66 |
Quantum dynamics of C((3)P)+OH(X(2)Pi)-> H((2)S)+CO(X(1)Sigma(+)) reaction
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Shi Ying Lin, Hua Guo, Pascal Honvault,
|
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Chem. Phys. Lett.
,
453,
140-144,
2008.
Citation : 15.
|
67 |
Ab initio potential energy surfaces for the study of rotationally inelastic CH(X-2 Pi)+H(S-2) collisions
|
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D. Ben Abdallah, F. Najar, N. Jaidane, Z. Ben Lakhdar, P. Honvault,
|
|
Chem. Phys. Lett.
,
456,
7-12,
2008.
Citation : 4.
|
68 |
Differential cross sections and product energy distributions for the C(P-3)+OH(X (2)Pi)-> CO(X (1)Sigma(+))+H(S-2) reaction using a quasiclassical trajectory method
|
|
Alexandre Zanchet, Philippe Halvick, Beatrice Bussery-Honvault, Pascal Honvault,
|
|
J. Chem. Phys.
,
128,
204301,
2008.
Citation : 33.
|
69 |
New theoretical results concerning the interstellar abundance of molecular oxygen
|
|
Donghui Quan, Eric Herbst, T. J. Millar, George E. Hassel, Shi Ying Lin, Hua Guo, Pascal Honvault, Daiqian Xie,
|
|
Astrophys. J.
,
681,
1318-1326,
2008.
Citation : 25.
|
70 |
Role of the atom-atom scattering length and of symmetrization in unidimensional ultracold atom-diatom collisions
|
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G. Quemener, P. Honvault, J. -M. Launay,
|
|
Eur. Phys. J. D
,
49,
75-84,
2008.
Citation : 4.
|
71 |
Quasiclassical trajectory scattering calculations for the OH+O -> H+O-2 reaction: Cross sections and rate constants
|
|
M. Jorfi, P. Honvault, P. Halvick, S. Y. Lin, H. Guo,
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Quantum dynamics of insertion reactions
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