Search Results - "Bussery-Honvault, Béatrice" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Theoretical Sensitivity of the C(3P) + OH(X2Π) → CO(X1Σ+) + H(2S) Rate Constant: The Role of the Long-Range Potential

Theoretical Sensitivity of the C(3P) + OH(X2Π) → CO(X1Σ+) + H(2S) Rate Constant: The Role of the Long-Range Potential

by Jorfi, Mohamed, Bussery-Honvault, Béatrice, Honvault, Pascal, Stoecklin, Thierry, Larrégaray, Pascal, Halvick, Philippe
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.07.2010)

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Ab initio calculations for the far infrared collision induced absorption by N2 gas

Ab initio calculations for the far infrared collision induced absorption by N2 gas

by Bussery-Honvault, Béatrice, Hartmann, Jean-Michel
Published in The Journal of chemical physics (07.02.2014)

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Long-range multipolar potentials of the 18 spin-orbit states arising from the C(3P) + OH(X 2Pi) interaction

Long-range multipolar potentials of the 18 spin-orbit states arising from the C(3P) + OH(X 2Pi) interaction

by Bussery-Honvault, Béatrice, Dayou, Fabrice, Zanchet, Alexandre
Published in The Journal of chemical physics (21.12.2008)

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Si(3P) + OH(X2Π) Interaction: Long-Range Multipolar Potentials of the Eighteen Spin−Orbit States

Si(3P) + OH(X2Π) Interaction: Long-Range Multipolar Potentials of the Eighteen Spin−Orbit States

by Bussery-Honvault, Béatrice, Dayou, Fabrice
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.12.2009)

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Nonadiabatic quantum dynamics of C(1D)+H2→CH+H: coupled-channel calculations including Renner-Teller and Coriolis terms

Nonadiabatic quantum dynamics of C(1D)+H2→CH+H: coupled-channel calculations including Renner-Teller and Coriolis terms

by Defazio, Paolo, Bussery-Honvault, Béatrice, Honvault, Pascal, Petrongolo, Carlo
Published in The Journal of chemical physics (21.09.2011)

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Transition state theory thermal rate constants and RRKM-based branching ratios for the N(2D) + CH4 reaction based on multi-sState and multi-reference Ab Initio calculations of interest for the titan's chemistry

Transition state theory thermal rate constants and RRKM-based branching ratios for the N(2D) + CH4 reaction based on multi-sState and multi-reference Ab Initio calculations of interest for the titan's chemistry

by Ouk, Chanda-Malis, Zvereva-Loëte, Natalia, Scribano, Yohann, Bussery-Honvault, Béatrice
Published in Journal of computational chemistry (30.10.2012)

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Dynamics of the C(1D)+H2 reaction: A comparison of crossed molecular beam experiments with quantum mechanical and quasiclassical trajectory calculations on the first two singlet (11A′ and 11A″) potential energy surfaces

Dynamics of the C(1D)+H2 reaction: A comparison of crossed molecular beam experiments with quantum mechanical and quasiclassical trajectory calculations on the first two singlet (11A′ and 11A″) potential energy surfaces

by Balucani, Nadia, Casavecchia, Piergiorgio, Aoiz, F.J, Bañares, Luis, Launay, Jean-Michel, Bussery-Honvault, Beatrice, Honvault, Pascal
Published in Molecular physics (2010)

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Long-range interactions in the ozone molecule: Spectroscopic and dynamical points of view

Long-range interactions in the ozone molecule: Spectroscopic and dynamical points of view

by Lepers, Maxence, Bussery-Honvault, Béatrice, Dulieu, Olivier
Published in The Journal of chemical physics (21.12.2012)

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Towards a converged barrier height for the entrance channel transition state of the N(2D)+CH4 reaction and its implication for the chemistry in Titan’s atmosphere

Towards a converged barrier height for the entrance channel transition state of the N(2D)+CH4 reaction and its implication for the chemistry in Titan’s atmosphere

by Ouk, Chanda-Malis, Zvereva-Loëte, Natalia, Bussery-Honvault, Béatrice
Published in Chemical physics letters (17.10.2011)

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Asymptotic potentials and rate constants in the adiabatic capture centrifugal sudden approximation for X+OH(X2Π)→OX+H(2S) reactions where X=O(3P), S(3P) or N(4S)

Asymptotic potentials and rate constants in the adiabatic capture centrifugal sudden approximation for X+OH(X2Π)→OX+H(2S) reactions where X=O(3P), S(3P) or N(4S)

by Stoecklin, Thierry, Bussery-Honvault, Béatrice, Honvault, Pascal, Dayou, F.
Published in Computational and theoretical chemistry (15.06.2012)

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Cross sections and rate constants for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a quasiclassical trajectory method

Cross sections and rate constants for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a quasiclassical trajectory method

by Zanchet, Alexandre, Halvick, Philippe, Rayez, Jean-Claude, Bussery-Honvault, Béatrice, Honvault, Pascal
Published in The Journal of chemical physics (14.05.2007)

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Linewidths of C2H2 perturbed by H2 : experiments and calculations from an ab initio potential

Linewidths of C2H2 perturbed by H2 : experiments and calculations from an ab initio potential

by THIBAULT, Franck, CORRETJA, Benoit, VIEL, Alexandra, BERMEJO, Dionisio, MARTNEZ, Raul Z, BUSSERY-HONVAULT, Béatrice
Published in Physical chemistry chemical physics : PCCP (21.09.2008)

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An ab initio potential energy surface for the C2H2-N2 system

An ab initio potential energy surface for the C2H2-N2 system

by Thibault, Franck, Vieuxmaire, Olivier, Sizun, Thibaut, Bussery-Honvault, Béatrice
Published in Molecular physics (01.11.2012)

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Influence of ro-vibrational and isotope effects on the dynamics of the C(3 P)+ OD(X 2Π) → CO(X 1 Σ+) + D(2 S) reaction

Influence of ro-vibrational and isotope effects on the dynamics of the C(3 P)+ OD(X 2Π) → CO(X 1 Σ+) + D(2 S) reaction

by Jorfi, Mohamed, Honvault, Pascal, Bussery-Honvault, Béatrice, Bañares, Luis, Bulut, Niyazi
Published in Molecular physics (20.02.2011)

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Ab initio potential energy curves, transition dipole moments and spin-orbit coupling matrix elements for the first twenty states of the calcium dimer

Ab initio potential energy curves, transition dipole moments and spin-orbit coupling matrix elements for the first twenty states of the calcium dimer

by Bussery-Honvault, Béatrice, Moszynski, Robert
Published in Molecular physics (10.07.2006)

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A theoretical study on the C + OH reaction dynamics and product energy disposal with vibrationally excited reagent

A theoretical study on the C + OH reaction dynamics and product energy disposal with vibrationally excited reagent

by Goswami, Sugata, Sahoo, Jayakrushna, Rao, Tammineni Rajagopala, Bussery-Honvault, Béatrice, Honvault, Pascal, Mahapatra, Susanta
Published in The European physical journal. D, Atomic, molecular, and optical physics (01.12.2018)

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Q-branch linewidths of N2 perturbed by H2: experiments and quantum calculations from an ab initio potential

Q-branch linewidths of N2 perturbed by H2: experiments and quantum calculations from an ab initio potential

by Gómez, Laura, Martínez, Raúl Z, Bermejo, Dionisio, Thibault, Franck, Joubert, Pierre, Bussery-Honvault, Béatrice, Bonamy, Jeanine
Published in The Journal of chemical physics (28.05.2007)

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Differential cross sections and product energy distributions for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a quasiclassical trajectory method

Differential cross sections and product energy distributions for the C(3P)+OH(X 2Pi)-->CO(X 1Sigma+)+H(2S) reaction using a quasiclassical trajectory method

by Zanchet, Alexandre, Halvick, Philippe, Bussery-Honvault, Béatrice, Honvault, Pascal
Published in The Journal of chemical physics (28.05.2008)

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An ab initio potential energy surface for the C 2 H 2 –N 2 system

An ab initio potential energy surface for the C 2 H 2 –N 2 system

by Thibault, Franck, Vieuxmaire, Olivier, Sizun, Thibaut, Bussery–Honvault, Béatrice
Published in Molecular physics (01.11.2012)

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Global fits of new intermolecular ground state potential energy surfaces for N2–H2 and N2–N2 van der Waals dimers

Global fits of new intermolecular ground state potential energy surfaces for N2–H2 and N2–N2 van der Waals dimers

by Gomez, L., Bussery-Honvault, B., Cauchy, T., Bartolomei, M., Cappelletti, D., Pirani, F.
Published in Chemical physics letters (13.09.2007)

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