T. Stoecklin

发表

Theoretical sensitivity of the C((3)P) + OH(X(2)Pi) --> CO(X(1)Sigma(+)) + H((2)S) rate constant: the role of the long-range potential.

P. Larrégaray, B. Bussery-Honvault, P. Honvault, 2010, The journal of physical chemistry. A.

Prediction of the existence of the N2H- molecular anion.

M. Hochlaf, P. Halvick, T. Stoecklin, 2012, The Journal of chemical physics.

On the gas-phase formation of the HCO radical: accurate quantum study of the H+CO radiative association

G. Nyman, P. Halvick, T. Stoecklin, 2018 .

Single-center approach for photodetachment and radiative electron attachment: Comparison with other theoretical approaches and with experimental photodetachment data

J. Loison, P. Halvick, T. Stoecklin, 2019, Physical Review A.

Rotational relaxation of HCO+ and DCO+ by collision with H2

A. Dutrey, T. Stoecklin, S. Guilloteau, 2020, Monthly Notices of the Royal Astronomical Society.

Rotational Transitions of HOC+ Induced by Collision with He at Low Temperature.

T. Stoecklin, O. Denis-Alpizar, C. Santander, 2019, The journal of physical chemistry. A.

Rovibrational energy transfer in the He–C3 collision: rigid bender treatment of the bending–rotation interaction and rate coefficients

P. Halvick, T. Stoecklin, O. Denis-Alpizar, 2015 .

On the use of explicitly correlated treatment methods for the generation of accurate polyatomic -He/H2 interaction potential energy surfaces: The case of C3-He complex and generalization.

M. Hochlaf, M. Senent, P. Halvick, 2014, The Journal of chemical physics.

Rovibrational energy transfer in the He-C3 collision: potential energy surface and bound states.

P. Halvick, T. Stoecklin, O. Denis-Alpizar, 2014, The Journal of chemical physics.

THE IONIC PATHWAYS OF LITHIUM CHEMISTRY IN THE EARLY UNIVERSE: QUANTUM CALCULATIONS FOR LiH+ REACTING WITH H

T. Stoecklin, F. Gianturco, S. Bovino, 2010 .

IS H+ AN EFFICIENT DESTROYER OF LiH MOLECULES? A QUANTUM INVESTIGATION AT EARLY UNIVERSE CONDITIONS

T. Stoecklin, F. Gianturco, M. Tacconi, 2010 .

Three dimensional atom-diatom quantum reactive scattering calculations using absorbing potential: speed up of the propagation scheme.

T. Stoecklin, 2008, Physical chemistry chemical physics : PCCP.

Rotational relaxation and excitation rates of hydrogen fluoride in collision with ortho- and para-H2

T. Stoecklin, G. Guillon, 2012 .

The Flying Saucer: Tomography of the thermal and density gas structure of an edge-on protoplanetary disk

T. Henning, U. Gorti, E. Chapillon, 2017, 1706.02608.

Accurate global potential energy surface for the H + OH+ collision.

M. Hochlaf, N. Jaidane, P. Halvick, 2014, The Journal of chemical physics.

The interaction of He with vibrating HCN: potential energy surface, bound states, and rotationally inelastic cross sections.

M. Dubernet, P. Halvick, T. Stoecklin, 2013, The Journal of chemical physics.

A new ab initio potential energy surface for the collisional excitation of HCN by para- and ortho-H2.

T. Stoecklin, F. Lique, Y. Kalugina, 2013, The Journal of chemical physics.

Potential energy surface of the CO2-N2 van der Waals complex.

M. Hochlaf, N. Jaidane, P. Halvick, 2015, The Journal of chemical physics.

Theoretical study of the reaction C(3P) + SH(X2π): Part 1. Semi-quantitative determination of some parts of the potential energy surfaces

J. Rayez, P. Halvick, T. Stoecklin, 1988 .

Complex rovibrational dynamics of the Ar·NO+ complex.

A. Császár, M. Hochlaf, E. Mátyus, 2017, Physical chemistry chemical physics : PCCP.

Quantum study of the bending relaxation of H2O by collision with H

T. Stoecklin, O. Denis-Alpizar, D. Páez‐Hernández, 2022, Monthly Notices of the Royal Astronomical Society.

Predissociation spectroscopy of cold CN−H2 and CN−D2

S. Schlemmer, R. Wester, R. Wild, 2022, Molecular Physics.

A close coupling study of the bending relaxation of H2O by collision with He.

T. Stoecklin, O. Denis-Alpizar, D. Páez‐Hernández, 2021, The Journal of chemical physics.

Rotational relaxation of AlO+(1Σ+) in collision with He

M. Hochlaf, T. Stoecklin, T. Trabelsi, 2018 .

Explicitly correlated treatment of the Ar-NO+ cation.

M. Hochlaf, P. Halvick, T. Stoecklin, 2011, The Journal of chemical physics.

An unbiased NOEMA 2.6 to 4 mm survey of the GG Tau ring: First detection of CCS in a protoplanetary disk

E. Chapillon, A. Dutrey, T. Beck, 2021, Astronomy & Astrophysics.

Formation of Al containing molecular complexes in the gas phase in dense molecular clouds: quantum study of the radiative association of Al++H2 and Al++D2

G. Nyman, T. Stoecklin, Daria Jones (nee Burdakova), 2021 .

Formation of Na-containing complex molecules in the gas phase in dense molecular clouds: quantum study of the Na+ + H2 and Na+ + D2 radiative association step

G. Nyman, T. Stoecklin, Daria Burdakova, 2019, Monthly Notices of the Royal Astronomical Society.

Low temperature rate coefficients of the H + CH(+) → C(+) + H2 reaction: New potential energy surface and time-independent quantum scattering.

B. Kerkeni, P. Honvault, P. Halvick, 2015, The Journal of chemical physics.

Rotational excitation and de-excitation of CH + molecules by 4 He atoms

T. Stoecklin, A. Voronin, F. Turpin, 2010 .

Vibrational and rotational energy transfer of CH+ in collisions with 4He and 3He

T. Stoecklin, A. Voronin, T. Stoecklin, 2008 .

Isotopic effects in the collision of HCN with He: substitution of HCN by DCN

P. Halvick, T. Stoecklin, O. Denis-Alpizar, 2015 .

Theoretical spectroscopic characterization of the ArBeO complex.

M. Hochlaf, N. Jaidane, P. Halvick, 2014, The Journal of chemical physics.

Rotational Excitation of the OH(+) Radical by Collision with H at Low Temperature.

M. Hochlaf, N. Jaidane, P. Halvick, 2015, The journal of physical chemistry. A.

Rigid-Bender Close-Coupling Treatment of the Inelastic Collisions of H2O with Para-H2.

Y. Scribano, P. Halvick, T. Stoecklin, 2019, The journal of physical chemistry. A.

Molecular Collisional Data and BASECOL in the VAMDC context

È. Roueff, M. Dubernet, F. Daniel, 2011 .

Scattering of electrons by gaseous CS(1Σ): The role of short-range forces on the very-low energy 2Π resonance

T. Stoecklin, F. Gianturco, I. Baccarelli, 2009 .

Rotational transitions of C3N− induced by collision with H2

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2019, Monthly Notices of the Royal Astronomical Society.

Potential energy surface and rovibrational bound states of the H2-C3N- van der Waals complex.

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2019, Physical chemistry chemical physics : PCCP.

On the importance of full-dimensionality in low-energy molecular scattering calculations

P. Jankowski, K. Szalewicz, T. Stoecklin, 2016, Scientific Reports.

Low temperature quantum rate coefficient of the H + CH+ reaction.

P. Halvick, T. Stoecklin, 2005, Physical chemistry chemical physics : PCCP.

Absolute measurements of state-to-state rotational energy transfer between CO and H2 at interstellar temperatures

P. Jankowski, K. Szalewicz, I. Sims, 2022, Physical Review A.

EXPERIMENTAL AND THEORETICAL ANALYSIS OF LOW-ENERGY CO + H2 INELASTIC COLLISIONS

P. Jankowski, K. Szalewicz, M. Costes, 2015 .

Fast reactions between diatomic and polyatomic molecules

D. Clary, T. Stoecklin, 1992 .

Rotational energy transfer in collisions between CO and Ar at temperatures from 293 to 30 K

I. Sims, T. Stoecklin, S. Picard, 2017 .

Isotopic effects in the collision of CH+ with He

B. Kerkeni, N. Feautrier, T. Stoecklin, 2017 .

Rotational excitation of HCN by para- and ortho-H₂.

T. Stoecklin, F. Lique, Y. Kalugina, 2014, The Journal of chemical physics.

Ro-vibrational relaxation of HCN in collisions with He: rigid bender treatment of the bending-rotation interaction.

M. Dubernet, P. Halvick, T. Stoecklin, 2013, The Journal of chemical physics.

Appearance of low energy resonances in CO-para-H2 inelastic collisions.

K. Hickson, M. Costes, T. Stoecklin, 2012, Physical review letters.

Rate constant calculations on fast diatom–diatom reactions

Christopher E. Dateo, D. Clary, T. Stoecklin, 1991 .

Collisional relaxation of MnH (X7Σ+) in a magnetic field: effect of the nuclear spin of Mn.

P. Halvick, T. Stoecklin, 2011, Physical chemistry chemical physics : PCCP.

Zeeman relaxation of MnH (X{sup 7}{Sigma}{sup +}) in collisions with {sup 3}He: Mechanism and comparison with experiment

P. Halvick, T. Stoecklin, F. Turpin, 2011, 1101.2159.

Comparison of the cross-sections and thermal rate constants for the reactions of C(3PJ) atoms with O2 and NO

Ian W. M. Smith, I. Sims, W. Geppert, 2000 .

Material for “ Quantum tunneling dynamical behaviour on weakly bond complexes : the case of CO 2 – N 2 dimer ”

P. Halvick, T. Stoecklin, Majdi, 2018 .

Analytical global potential energy surfaces of the two lowest 2A′states of NO2

J. Rayez, P. Halvick, T. Stoecklin, 2001 .

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)

B. Bussery-Honvault, P. Honvault, T. Stoecklin, 2012 .

Vibrational and rotational cooling of NO+ in collisions with He.

T. Stoecklin, A. Voronin, 2011, The Journal of chemical physics.

Cross sections and low temperature rate coefficients for the H + CH+ reaction: a quasiclassical trajectory study.

P. Larrégaray, L. Bonnet, P. Halvick, 2007, Physical chemistry chemical physics : PCCP.

PREDICTION OF THE SPECTRUM FOR EXCITATION OF THE VAN DER WAALS MODES IN ARHCN

Christopher E. Dateo, D. Clary, T. Stoecklin, 1990 .

Ro-vibrational relaxation of HCN in collisions with He: rigid bender treatment of the bending-rotation interaction.

M. Dubernet, P. Halvick, T. Stoecklin, 2013, The Journal of chemical physics.

Vibrational deactivation of F2(ν=1,j=0) by 1H at very low energy

J. Rayez, T. Stoecklin, A. Voronin, 2004 .

Vibrational quenching of HF(ν=1,j) molecules by 3He atoms at very low energy

J. Rayez, T. Stoecklin, A. Voronin, 2003 .

Interaction of rigid C3N- with He: Potential energy surface, bound states, and rotational spectrum.

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2017, The Journal of chemical physics.

Rovibrational rate coefficients of NO+ in collision with He

T. Stoecklin, O. Denis-Alpizar, 2015 .

Rotational relaxation of CS by collision with ortho- and para-H2 molecules.

M. Dubernet, P. Halvick, T. Stoecklin, 2008, The Journal of chemical physics.

Resolved fine and hyperfine state-to-state rate coefficients for the rotational transitions of C3N induced by collision with He

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2021, Monthly Notices of the Royal Astronomical Society.

BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC)

Jonathan Tennyson, Cecilia Ceccarelli, George C. McBane, 2013 .

Electron scattering from gaseous OCS (1Σ): Comparing computed angular distributions and elastic cross-sections with experiments

T. Stoecklin, F. Gianturco, 2007, physics/0702005.

Radiative Electron Attachment and Photodetachment Rate Constants for Linear Carbon Chains

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2019, ACS Earth and Space Chemistry.

A comparative study of the reactivity of the silicon atom Si(3PJ) towards O2 and NO molecules at very low temperature

A. Canosa, T. Stoecklin, S. Picard, 2002 .

Rate constant calculations for atom–diatom reaction involving an open-shell atom and a molecule in a Σ electronic state Application to the reaction Al(2P1/2,3/2)+O2(X3Σg-)→AlO(X2Σ+) +O(3P2,1,0)

B. Rowe, A. Canosa, T. Stoecklin, 1998 .

FAST REACTIONS BETWEEN A LINEAR MOLECULE AND A POLAR SYMMETRIC TOP

D. Clary, T. Stoecklin, 1995 .

Rate constant calculations for ion–symmetric top and ion–asymmetric top reactions

D. Clary, T. Stoecklin, A. Palma, 1992 .

State-to-state chemistry and rotational excitation of CH+ in photon-dominated regions.

J. Tennyson, O. Roncero, O. Motapon, 2017, Monthly notices of the Royal Astronomical Society.

Rate constants for chemical reactions of radicals at low temperatures

D. Clary, T. Stoecklin, A. G. Wickham, 1993 .

Reaction rates of ions with dipolar molecules in 2Π electronic states

D. Clary, T. Stoecklin, A. G. Wickham, 1992 .

The elastic scattering of electrons from molecules: I. Close coupling calculations of integral and differential cross sections

T. Stoecklin, F. Gianturco, Franco A. Gianturco, 1996 .

On the gas-phase formation of the HCO- anion: accurate quantum study of the H- + CO radiative association and HCO radiative electron attachment.

M. Hochlaf, P. Halvick, T. Stoecklin, 2018, Faraday discussions.

A new theoretical method for calculating the radiative association cross section of a triatomic molecule: application to N2-H-.

M. Hochlaf, T. Stoecklin, F. Lique, 2013, Physical chemistry chemical physics : PCCP.

Analytical calculation of the Smith lifetime Q matrix using a Magnus propagator: applications to the study of resonances occurring in ultracold inelastic collisions with and without an applied magnetic field.

T. Stoecklin, G. Guillon, 2009, The Journal of chemical physics.

A new ab initio potential energy surface for the collisional excitation of O2 by H2.

T. Stoecklin, F. Lique, Y. Kalugina, 2012, Physical chemistry chemical physics : PCCP.

The effect of middle range forces on the rate constant of a fast chemical reaction within adiabatic capture theory

T. Stoecklin, A. Beghin, 1997 .

Radiative electron attachment to rotating C$_3$N through dipole-bound states

T. Stoecklin, V. Kokoouline, J. Forer, 2022, 2211.06414.

EXPERIMENTAL AND THEORETICAL KINETICS FOR THE REACTION OF AL WITH O2 AT TEMPERATURES BETWEEN 23 AND 295 K

B. Rowe, A. Canosa, T. Stoecklin, 1997 .

Low-energy electron scattering from gaseous CS2: angular distributions and effect of exchange forces

T. Stoecklin, F. Gianturco, 2007 .

Electron-impact rotational and hyperfine excitation of HCN, HNC, DCN and DNC

J. Tennyson, A. Faure, T. Stoecklin, 2007, 0709.1904.

Exact, Born-Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system.

O. Roncero, G. Delgado-barrio, J. Rayez, 2008, The Journal of chemical physics.

Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models

J. Tennyson, R. Lucchese, J. Franz, 2007, 0711.4279.

Scattering of electrons from gas-phase N2O(1Σ): Computed cross-sections and angular distributions in comparison with experiments

T. Stoecklin, F. Gianturco, 2006 .

Rate constant calculations for atom-diatom reaction involving an open shell atom and a molecule in a Π electronic state at very low temperature

T. Stoecklin, 1995 .

Experimental and theoretical temperature dependence of the rate coefficient of the B(2P1/2,3/2) + O2(X3Σg−) reaction in the [24–295 K] temperature range

A. Canosa, W. Geppert, T. Stoecklin, 2004 .

Rate constant calculations for atom-diatom reactions involving an open shell atom and a molecule in a Π electronic state: Application to the reaction

J. Rayez, T. Stoecklin, A. Beghin, 1995 .

Electron scattering from acetylene: elastic integral and differential cross sections at low energies

T. Stoecklin, F. Gianturco, 1994 .

Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex.

M. Dubernet, P. Halvick, T. Stoecklin, 2012, The Journal of chemical physics.

Theoretical study of the reaction C(3P)+SH(X2Π). III. Two analytic models of the lowest potential energy surface

J. Rayez, T. Stoecklin, B. Duguay, 1990 .

A comparative multi-property analysis of existing models for the He–N2 potential energy surface

T. Stoecklin, A. K. Dham, F. McCourt, 2008 .

Predissociation spectra of the 35 Cl - (H 2 ) complex and its isotopologue 35 Cl - (D 2 ).

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2020 .

Comparison of the spin–orbit selectivity of reactions involving atoms in a 2P or 3P state and a linear molecule in a Π or Σ state at very low temperature

T. Stoecklin, D. Reignier, 1999 .

The interaction of MnH(X 7Sigma+) with He: ab initio potential energy surface and bound states.

P. Halvick, T. Stoecklin, F. Turpin, 2010, The Journal of chemical physics.

Explanation of efficient quenching of molecular ion vibrational motion by ultracold atoms

M. Hochlaf, P. Halvick, T. Stoecklin, 2016, Nature Communications.

Strong isotope effect in ultracold collision of N{sub 2}{sup +} ({nu}=1, j=0) with He: A case study of virtual-state scattering

T. Stoecklin, A. Voronin, 2005 .

Rotational relaxation of H2S by collision with He (Corrigendum)

T. Stoecklin, O. Denis-Alpizar, 2020, Astronomy & Astrophysics.

Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms.

G. Chałasiński, Michał Hapka, J. Kłos, 2016, The Journal of chemical physics.

Role of the middle and long range parts of the NO2 potential energy surfaces: anomalous density of states and recombination rate constant

S. Heilliette, J. Rayez, T. Stoecklin, 2003 .

Vibrational quenching of N 2 ( ν = 1 , j rot = j ) by 3 He : Surface and close-coupling calculations at very low energy

J. Rayez, T. Stoecklin, A. Voronin, 2002 .

Calculation of rotationally inelastic processes in electron collisions with CO{sub 2} molecules

T. Stoecklin, F. Gianturco, 1997 .

A comparative nearside-farside analysis of the He–N2+ and He–N2 inelastic collisions

T. Stoecklin, G. Guillon, 2006 .

Zeeman relaxation of N2+ (2Σ+) in collisions with 3He and 4He

T. Stoecklin, G. Guillon, A. Voronin, 2008 .

Rotational excitation and de-excitation of HF molecules by He atoms

A. Voronin, C. Reese, J. Rayez, 2005 .

Vibrational deactivation of F{sub 2}({nu}=1, j=0) by {sup 3}He at very low energy: A comparative study with the He-N{sub 2} collision

J. Rayez, T. Stoecklin, A. Voronin, 2003 .

Rotational (de-)excitation of C3N− by collision with He atoms

P. Halvick, T. Stoecklin, M. Lara-Moreno, 2017 .

Spin depolarization of N2+ (2Σ+) in collisions with 3He in a magnetic field: general behaviour and zero energy Feshbach resonances

T. Stoecklin, G. Guillon, A. Voronin, 2009 .

New rate coefficients of CS in collision with para- and ortho-H2 and astrophysical implications

A. Dutrey, T. Stoecklin, S. Guilloteau, 2018 .

Comparative experimental and theoretical study of the rotational excitation of CO by collision with ortho- and para-D2 molecules.

P. Jankowski, M. Costes, A. Faure, 2016, Physical chemistry chemical physics : PCCP.

H–N2 inelastic collision dynamics on new potential energy surface

T. Stoecklin, A. Voronin, 2007 .

Exact, Born-Oppenheimer, and quantum-chemistry-like calculations in helium clusters doped with light molecules: The He2N2(X) system.

O. Roncero, J. Rayez, T. Stoecklin, 2008, The Journal of chemical physics.

Rovibrational energy transfer in the He-C3 collision: potential energy surface and bound states.

P. Halvick, T. Stoecklin, O. Denis-Alpizar, 2014, Journal of Chemical Physics.

A Comparative Study of the Cold Collisions of H2O and D2O with Ne.

T. Stoecklin, O. Denis-Alpizar, Ricardo Manuel García-Vázquez, 2023, The journal of physical chemistry. A.

Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms.

G. Chałasiński, Michał Hapka, J. Kłos, 2013, The Journal of chemical physics.

Spin-orbit quenching of the C+(2P) ion by collisions with para- and ortho-H2.

P. Halvick, T. Stoecklin, F. Lique, 2013, The Journal of chemical physics.

Low-energy electron scattering from CO2 molecules: elastic channel calculations revisited

T. Stoecklin, F. Gianturco, 2001 .