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Mr HALVICK Philippe

Téléphone 05 40 00 83 77
Groupe de recherche Chimie Théorique et Modélisation
Statut Permanent
Poste Chercheur
Batiment A12
Etage 3° Est
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Publications

Dubernet, M.L., Boursier, C., Denis-Alpizar, O., Ba, Y.A., Moreau, N., Zwölf, C.M., Amor, M.A., Babikov, D., Balakrishnan, N., Balança, C., Ben Khalifa, M., Bergeat, A., Bop, C.T., Cabrera-González, L., Cárdenas, C., Chefai, A., Dagdigian, P.J., Dayou, F., Demes, S., Desrousseaux, B., Dumouchel, F., Faure, A., Forrey, R.C., Franz, J., García-Vázquez, R.M., Gianturco, F., Godard Palluet, A., González-Sánchez, L., Groenenboom, G.C., Halvick, P., Hammami, K., Khadri, F., Kalugina, Y., Kleiner, I., Kłos, J., Lique, F., Loreau, J., Mandal, B., Mant, B., Marinakis, S., Ndaw, D., Pirlot Jankowiak, P., Price, T., Quintas-Sánchez, E., Ramachandran, R., Sahnoun, E., Santander, C., Stancil, P.C., Stoecklin, T., Tennyson, J., Tonolo, F., Urzúa-Leiva, R., Yang, B., Yurtsever, E., Zóltowski, M. (). BASECOL2023 scientific content. In Astronomy and Astrophysics (Vol. 683, p. A40). https://doi.org/10.1051/0004-6361/202348233
Gans, B., Liévin, J., Halvick, P., Chen, N.L., Boyé-Péronne, S., Hartweg, S., Garcia, G.A., Loison, J.C. (). Single-photon ionization of SiC in the gas phase: experimental and ab initio characterization of SiC+. In Physical Chemistry Chemical Physics (Vol. 25, Issue 35, p. 23568-23578). https://doi.org/10.1039/d3cp02775a
Dahlmann, F., Jusko, P., Lara-Moreno, M., Halvick, P., Marimuthu, A.N., Michaelsen, T., Wild, R., Geistlinger, K., Schlemmer, S., Stoecklin, T., Wester, R., Brünken, S. (). Predissociation spectroscopy of cold CN−H2 and CN−D2. In Molecular Physics (Vol. 120, Issue 15-16, p. e2085204). https://doi.org/10.1080/00268976.2022.2085204
Halvick, P., Stoecklin, T. (). Theoretical Rate Constants. In Uniform Supersonic Flows in Chemical Physics: Chemistry Close to Absolute Zero Studied Using the CRESU Method (p. 583-638). https://doi.org/10.1142/9781800610996_0011
Dahlmann, F., Lochmann, C., Marimuthu, A.N., Lara-Moreno, M., Stoecklin, T., Halvick, P., Raoult, M., Dulieu, O., Wild, R., Schlemmer, S., Brünken, S., Wester, R. (). Strong ortho / para effects in the vibrational spectrum of Cl-(H2). In Journal of Chemical Physics (Vol. 155, Issue 24, p. 241101). https://doi.org/10.1063/5.0073749
Lara-Moreno, M., Stoecklin, T., Halvick, P. (). Resolved fine and hyperfine state-to-state rate coefficients for the rotational transitions of C3N induced by collision with He. In Monthly Notices of the Royal Astronomical Society (Vol. 507, Issue 3, p. 4086-4094). https://doi.org/10.1093/mnras/stab2453
Lara-Moreno, M., Stoecklin, T., Halvick, P., Hochlaf, M. (). Erratum: Quantum tunneling dynamical behaviour on weakly bound complexes: The case of a CO2-N2dimer (Physical Chemistry Chemical Physics (2019) 21 (3550-3557) DOI: 10.1039/c8cp04465a). In Physical Chemistry Chemical Physics (Vol. 23, Issue 17, p. 10687-10690). https://doi.org/10.1039/d1cp90078a
Lara-Moreno, M., Halvick, P., Stoecklin, T. (). Predissociation spectra of the 35Cl-(H2) complex and its isotopologue 35Cl-(D2). In Physical Chemistry Chemical Physics (Vol. 22, Issue 44, p. 25552-25559). https://doi.org/10.1039/d0cp05015f
Lara-Moreno, M., Stoecklin, T., Halvick, P. (). Radiative Electron Attachment and Photodetachment Rate Constants for Linear Carbon Chains. In ACS Earth and Space Chemistry (Vol. 3, Issue 8, p. 1556-1563). https://doi.org/10.1021/acsearthspacechem.9b00098
Stoecklin, T., Denis-Alpizar, O., Clergerie, A., Halvick, P., Faure, A., Scribano, Y. (). Rigid-bender close-coupling treatment of the inelastic collisions of h2o with para-h2. In Journal of Physical Chemistry A (Vol. 123, Issue 27, p. 5704-5712). https://doi.org/10.1021/acs.jpca.9b04052
Lara-Moreno, M., Stoecklin, T., Halvick, P. (). Rotational transitions of C3N- induced by collision with H2. In Monthly Notices of the Royal Astronomical Society (Vol. 486, Issue 1, p. 414-421). https://doi.org/10.1093/mnras/stz860
Lara-Moreno, M., Stoecklin, T., Halvick, P., Loison, J.C. (). Single-center approach for photodetachment and radiative electron attachment: Comparison with other theoretical approaches and with experimental photodetachment data. In Physical Review A (Vol. 99, Issue 3, p. 033412). https://doi.org/10.1103/PhysRevA.99.033412
Lara-Moreno, M., Stoecklin, T., Halvick, P. (). Potential energy surface and rovibrational bound states of the H2-C3N- van der Waals complex. In Physical Chemistry Chemical Physics (Vol. 21, Issue 6, p. 2929-2937). https://doi.org/10.1039/c8cp07727d
Lara-Moreno, M., Stoecklin, T., Halvick, P., Hochlaf, M. (). Quantum tunneling dynamical behaviour on weakly bound complexes: The case of a CO2-N2 dimer. In Physical Chemistry Chemical Physics (Vol. 21, Issue 7, p. 3550-3557). https://doi.org/10.1039/c8cp04465a
Stoecklin, T., Halvick, P., Yu, H.G., Nyman, G., Ellinger, Y. (). On the gas-phase formation of the HCO radical: Accurate quantum study of the H+CO radiative association. In Monthly Notices of the Royal Astronomical Society (Vol. 475, Issue 2, p. 2545-2552). https://doi.org/10.1093/mnras/stx3348
Stoecklin, T., Halvick, P., Lara-Moreno, M., Trabelsi, T., Hochlaf, M. (). On the gas-phase formation of the HCO− anion: accurate quantum study of the H− + CO radiative association and HCO radiative electron attachment. In Faraday Discussions (Vol. 212, p. 101-116). https://doi.org/10.1039/c8fd00103k
Gans, B., Boyé-Péronne, S., Garcia, G.A., Röder, A., Schleier, D., Halvick, P., Loison, J.C. (). Unveiling the Ionization Energy of the CN Radical. In Journal of Physical Chemistry Letters (Vol. 8, Issue 17, p. 4038-4042). https://doi.org/10.1021/acs.jpclett.7b01853
Faure, A., Halvick, P., Stoecklin, T., Honvault, P., Epee Epee, M.D., Mezei, J.Z., Motapon, O., Schneider, I.F., Tennyson, J., Roncero, O., Bulut, N., Zanchet, A. (). State-to-state chemistry and rotational excitation of CH+ in photon-dominated regions. In Monthly Notices of the Royal Astronomical Society (Vol. 469, Issue 1, p. 612-620). https://doi.org/10.1093/mnras/stx892
Lara-Moreno, M., Stoecklin, T., Halvick, P. (). Interaction of rigid C3N- with He: Potential energy surface, bound states, and rotational spectrum. In Journal of Chemical Physics (Vol. 146, Issue 22, p. 224310). https://doi.org/10.1063/1.4985148
Bonnet, L., Linguerri, R., Hochlaf, M., Yazidi, O., Halvick, P., Francisco, J.S. (). Full-Dimensional Theory of Pair-Correlated HNCO Photofragmentation. In Journal of Physical Chemistry Letters (Vol. 8, Issue 11, p. 2420-2424). https://doi.org/10.1021/acs.jpclett.7b00920
Lara-Moreno, M., Stoecklin, T., Halvick, P. (). Rotational (de-)excitation of C3N− by collision with He atoms. In Monthly Notices of the Royal Astronomical Society (Vol. 467, Issue 4, p. 4174-4179). https://doi.org/10.1093/mnras/stx434
Kłos, J., Hapka, M., Chałasiński, G., Halvick, P., Stoecklin, T. (). Theoretical study of the buffer-gas cooling and trapping of CrH(X6Σ+) by 3He atoms. In Journal of Chemical Physics (Vol. 145, Issue 21, p. 214305). https://doi.org/10.1063/1.4968529
Stoecklin, T., Halvick, P., Gannouni, M.A., Hochlaf, M., Kotochigova, S., Hudson, E.R. (). Explanation of efficient quenching of molecular ion vibrational motion by ultracold atoms. In Nature Communications (Vol. 7, p. 11234). https://doi.org/10.1038/ncomms11234
Stoecklin, T., Gannouni, M.A., Jaidane, N.E., Halvick, P., Hochlaf, M. (). Rotational Excitation of the OH+ Radical by Collision with H at Low Temperature. In Journal of Physical Chemistry A (Vol. 119, Issue 51, p. 12599-12606). https://doi.org/10.1021/acs.jpca.5b09607
Werfelli, G., Halvick, P., Honvault, P., Kerkeni, B., Stoecklin, T. (). Low temperature rate coefficients of the H + CH+ → C+ + H2 reaction: New potential energy surface and time-independent quantum scattering. In Journal of Chemical Physics (Vol. 143, Issue 11, p. 114304). https://doi.org/10.1063/1.4931103
Denis-Alpizar, O., Stoecklin, T., Halvick, P. (). Isotopic effects in the collision of HCN with He: Substitution of HCN by DCN. In Monthly Notices of the Royal Astronomical Society (Vol. 453, Issue 2, p. 1317-1323). https://doi.org/10.1093/mnras/stv1748
Nasri, S., Ajili, Y., Jaidane, N.E., Kalugina, Y.N., Halvick, P., Stoecklin, T., Hochlaf, M. (). Potential energy surface of the CO2-N2 van der Waals complex. In Journal of Chemical Physics (Vol. 142, Issue 17, p. 174301). https://doi.org/10.1063/1.4919396
Stoecklin, T., Denis-Alpizar, O., Halvick, P. (). Rovibrational energy transfer in the He-C3 collision: Rigid bender treatment of the bending-rotation interaction and rate coefficients. In Monthly Notices of the Royal Astronomical Society (Vol. 449, Issue 4, p. 3420-3425). https://doi.org/10.1093/mnras/stv491
Tebai, Y., Jaidane, N.E., Ben Abdallah, D., Halvick, P., Stoecklin, T., Hochlaf, M. (). Theoretical spectroscopic characterization of the ArBeO complex. In Journal of Chemical Physics (Vol. 141, Issue 17, p. 174305). https://doi.org/10.1063/1.4900770
Al Mogren, M.M., Denis-Alpizar, O., Ben Abdallah, D., Stoecklin, T., Halvick, P., Senent, M.L., Hochlaf, M. (). 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. In Journal of Chemical Physics (Vol. 141, Issue 4, p. 044308). https://doi.org/10.1063/1.4890729
Bonnet, L., Larrégaray, P., Halvick, P., Rayez, J.C. (). Classical reactive scattering in a quantum spirit: Improving the shape of rotational state distributions for indirect reactions in the quantum regime. In Theoretical Chemistry Accounts (Vol. 133, Issue 8, p. 1527). https://doi.org/10.1007/s00214-014-1527-0
Gannouni, M.A., Jaidane, N.E., Halvick, P., Stoecklin, T., Hochlaf, M. (). Accurate global potential energy surface for the H + OH+ collision. In Journal of Chemical Physics (Vol. 140, Issue 18, p. 184306). https://doi.org/10.1063/1.4872329
Denis-Alpizar, O., Stoecklin, T., Halvick, P. (). Rovibrational energy transfer in the He-C3 collision: Potential energy surface and bound states. In Journal of Chemical Physics (Vol. 140, Issue 8, p. 084316). https://doi.org/10.1063/1.4866839
Denis-Alpizar, O., Stoecklin, T., Halvick, P., Dubernet, M.L. (). Rotational relaxation of CS by collision with ortho- and para-H2 molecules. In Journal of Chemical Physics (Vol. 139, Issue 20, p. 204304). https://doi.org/10.1063/1.4832385
Stoecklin, T., Denis-Alpizar, O., Halvick, P., Dubernet, M.L. (). Ro-vibrational relaxation of HCN in collisions with He: Rigid bender treatment of the bending-rotation interaction. In Journal of Chemical Physics (Vol. 139, Issue 12, p. 124317). https://doi.org/10.1063/1.4822296
Denis-Alpizar, O., Stoecklin, T., Halvick, P., Dubernet, M.L. (). The interaction of He with vibrating HCN: Potential energy surface, bound states, and rotationally inelastic cross sections. In Journal of Chemical Physics (Vol. 139, Issue 3, p. 034304). https://doi.org/10.1063/1.4813125
Lique, F., Werfelli, G., Halvick, P., Stoecklin, T., Faure, A., Wiesenfeld, L., Dagdigian, P.J. (). Spin-orbit quenching of the C+(2P) ion by collisions with para- and ortho-H2. In Journal of Chemical Physics (Vol. 138, Issue 20, p. 204314). https://doi.org/10.1063/1.4807311
Dubernet, M.L., Alexander, M.H., Ba, Y.A., Balakrishnan, N., Balança, C., Ceccarelli, C., Cernicharo, J., Daniel, F., Dayou, F., Doronin, M., Dumouchel, F., Faure, A., Feautrier, N., Flower, D.R., Grosjean, A., Halvick, P., Kłos, J., Lique, F., McBane, G.C., Marinakis, S., Moreau, N., Moszynski, R., Neufeld, D.A., Roueff, E., Schilke, P., Spielfiedel, A., Stancil, P.C., Stoecklin, T., Tennyson, J., Yang, B., Vasserot, A.M., Wiesenfeld, L. (). BASECOL2012: A collisional database repository and web service within the Virtual Atomic and Molecular Data Centre (VAMDC). In Astronomy and Astrophysics (Vol. 553, p. A50). https://doi.org/10.1051/0004-6361/201220630
Zanchet, A., Godard, B., Bulut, N., Roncero, O., Halvick, P., Cernicharo, J. (). H2(v = 0,1) + C+(2 P) → H+CH + state-to-state rate constants for chemical pumping models in astrophysical media. In Astrophysical Journal (Vol. 766, Issue 2, p. 80). https://doi.org/10.1088/0004-637X/766/2/80
Denis-Alpizar, O., Stoecklin, T., Halvick, P., Dubernet, M.L., Marinakis, S. (). Potential energy surface and rovibrational energy levels of the H 2-CS van der Waals complex. In Journal of Chemical Physics (Vol. 137, Issue 23, p. 234301). https://doi.org/10.1063/1.4771658
Ruf, H., Handschin, C., Ferré, A., Thiré, N., Bertrand, J.B., Bonnet, L., Cireasa, R., Constant, E., Corkum, P.B., Descamps, D., Fabre, B., Larregaray, P., Mével, E., Petit, S., Pons, B., Staedter, D., Wörner, H.J., Villeneuve, D.M., Mairesse, Y., Halvick, P., Blanchet, V. (). High-harmonic transient grating spectroscopy of NO2 electronic relaxation. In Journal of Chemical Physics (Vol. 137, Issue 22, p. 224303). https://doi.org/10.1063/1.4768810
Lique, F., Halvick, P., Stoecklin, T., Hochlaf, M. (). Prediction of the existence of the N 2H - molecular anion. In Journal of Chemical Physics (Vol. 136, Issue 24, p. 244302). https://doi.org/10.1063/1.4730036
Loison, J.C., Halvick, P., Bergeat, A., Hickson, K.M., Wakelam, V. (). Review of OCS gas-phase reactions in dark cloud chemical models. In Monthly Notices of the Royal Astronomical Society (Vol. 421, Issue 2, p. 1476-1484). https://doi.org/10.1111/j.1365-2966.2012.20412.x
Halvick, P., Stoecklin, T., Lique, F., Hochlaf, M. (). Explicitly correlated treatment of the Ar-NO+ cation. In Journal of Chemical Physics (Vol. 135, Issue 4, p. 044312). https://doi.org/10.1063/1.3614502
Gans, B., Boyé-Péronne, S., Broquier, M., Delsaut, M., Douin, S., Fellows, C.E., Halvick, P., Loison, J.C., Lucchese, R.R., Gauyacq, D. (). Photolysis of methane revisited at 121.6 nm and at 118.2 nm: Quantum yields of the primary products, measured by mass spectrometry. In Physical Chemistry Chemical Physics (Vol. 13, Issue 18, p. 8140-8152). https://doi.org/10.1039/c0cp02627a
Turpin, F., Stoecklin, T., Halvick, P. (). Zeeman relaxation of MnH (X7Σ+) in collisions with He3: Mechanism and comparison with experiment. In Physical Review A - Atomic, Molecular, and Optical Physics (Vol. 83, Issue 3, p. 032717). https://doi.org/10.1103/PhysRevA.83.032717
Stoecklin, T., Halvick, P. (). Collisional relaxation of MnH (X7Σ+) in a magnetic field: Effect of the nuclear spin of Mn. In Physical Chemistry Chemical Physics (Vol. 13, Issue 42, p. 19142-19147). https://doi.org/10.1039/c1cp21466g
Jorfi, M., Bussery-Honvault, B., Honvault, P., Stoecklin, T., Larrégaray, P., Halvick, P. (). Theoretical sensitivity of the C(3P) + OH(X2Π) → CO(X1∑+) + H(2S) rate constant: The role of the long-range potential. In Journal of Physical Chemistry A (Vol. 114, Issue 28, p. 7494-7499). https://doi.org/10.1021/jp1037377
Turpin, F., Halvick, P., Stoecklin, T. (). The interaction of MnH (X 7+) with He: Ab initio potential energy surface and bound states. In Journal of Chemical Physics (Vol. 132, Issue 21, p. 214305). https://doi.org/10.1063/1.3432762
Lique, F., Jorfi, M., Honvault, P., Halvick, P., Lin, S.Y., Guo, H., Xie, D.Q., Dagdigian, P.J., Kos, J., Alexander, M.H. (). O+OH→O2+H: A key reaction for interstellar chemistry. New theoretical results and comparison with experiment. In Journal of Chemical Physics (Vol. 131, Issue 22, p. 221104). https://doi.org/10.1063/1.3274226
Jorfi, M., Honvault, P., Halvick, P. (). Quasi-classical determination of integral cross-sections and rate constants for the N + OH → NO + H reaction. In Chemical Physics Letters (Vol. 471, Issue 1-3, p. 65-70). https://doi.org/10.1016/j.cplett.2009.02.029
Costes, M., Halvick, P., Hickson, K.M., Daugey, N., Naulin, C. (). Non-threshold, threshold, and nonadiabatic behavior of the key interstellar C + C2H2 reaction. In Astrophysical Journal (Vol. 703, Issue 2, p. 1179-1187). https://doi.org/10.1088/0004-637X/703/2/1179
Jorfi, M., Honvault, P., Halvick, P. (). Quasiclassical trajectory calculations of differential cross sections and product energy distributions for the N+OH→NO+H reaction. In Journal of Chemical Physics (Vol. 131, Issue 9, p. 094302). https://doi.org/10.1063/1.3218843
Jorfi, M., Honvault, P., Bargueo, P., González-Lezana, T., Larŕgaray, P., Bonnet, L., Halvick, P. (). On the statistical behavior of the O+OH→H+ O2 reaction: A comparison between quasiclassical trajectory, quantum scattering, and statistical calculations. In Journal of Chemical Physics (Vol. 130, Issue 18, p. 184301). https://doi.org/10.1063/1.3128537
Jorfi, M., Honvault, P., Halvick, P., Lin, S.Y., Guo, H. (). Quasiclassical trajectory scattering calculations for the OH + O → H + O2 reaction: Cross sections and rate constants. In Chemical Physics Letters (Vol. 462, Issue 1-3, p. 53-57). https://doi.org/10.1016/j.cplett.2008.07.069
Zanchet, A., Halvick, P., Bussery-Honvault, B., Honvault, P. (). Differential cross sections and product energy distributions for the C(P3)+OH(X2Π) →cO (X1σ+1) +H (2S) reaction using a quasiclassical trajectory method. In Journal of Chemical Physics (Vol. 128, Issue 20, p. 204301). https://doi.org/10.1063/1.2924124
Guillon, G., Stoecklin, T., Voronin, A., Halvick, P. (). Rotational relaxation of HF by collision with ortho- and para- H 2 molecules. In Journal of Chemical Physics (Vol. 129, Issue 10, p. 104308). https://doi.org/10.1063/1.2975194
Halvick, P. (). A multiconfigurational approach of the symmetry breaking problem in the cyclic C3H radical. In Chemical Physics (Vol. 340, Issue 1-3, p. 79-84). https://doi.org/10.1016/j.chemphys.2007.07.023
Halvick, P., Stoecklin, T., Larrégaray, P., Bonnet, L. (). Cross sections and low temperature rate coefficients for the H + CH + reaction: A quasiclassical trajectory study. In Physical Chemistry Chemical Physics (Vol. 9, Issue 5, p. 582-590). https://doi.org/10.1039/b614787a
Zanchet, A., Halvick, P., Rayez, J.C., Bussery-Honvault, B., Honvault, P. (). Cross sections and rate constants for the C (P3) +OH (X Π2) →cO (X +1) +H (S2) reaction using a quasiclassical trajectory method. In Journal of Chemical Physics (Vol. 126, Issue 18, p. 184308). https://doi.org/10.1063/1.2731788
Stoecklin, T., Halvick, P. (). Low temperature quantum rate coefficient of the H + CH+ reaction. In Physical Chemistry Chemical Physics (p. 2446-2452). https://doi.org/10.1039/b503714j
Boyé, S., Campos, A., Douin, S., Fellows, C., Gauyacq, D., Shafizadeh, N., Halvick, P., Boggio-Pasqua, M. (). Visible emission from the vibrationally hot C2H radical following vacuum-ultraviolet photolysis of acetylene: Experiment and theory. In Journal of Chemical Physics (Vol. 116, Issue 20, p. 8843-8855). https://doi.org/10.1063/1.1471239
Halvick, P., Boggio-Pasqua, M., Bonnet, L., Voronin, A.I., Rayez, J.C. (). Trajectory surface hopping study of the C + CH reaction. In Physical Chemistry Chemical Physics (Vol. 4, Issue 12, p. 2560-2567). https://doi.org/10.1039/b106963b
Reignier, D., Stoecklin, T., Halvick, P., Voronin, A., Rayez, J.C. (). Analytical global potential energy surfaces of the two lowest A′ states of NO. In Physical Chemistry Chemical Physics (Vol. 3, Issue 14, p. 2726-2734). https://doi.org/10.1039/b101507i
Boggio-Pasqua, M., Voronin, A.I., Halvick, P., Rayez, J.C., Varandas, A.J.C. (). Coupled ab initio potential energy surfaces for the two lowest 2A′ electronic states of the C2H molecule. In Molecular Physics (Vol. 98, Issue 23, p. 1925-1938). https://doi.org/10.1080/002689700750036944
Boggio-Pasqua, M., Voronin, A.I., Halvick, P., Rayez, J.C. (). Analytical representations of high level ab initio potential energy curves of the C2 molecule. In Journal of Molecular Structure: THEOCHEM (Vol. 531, Issue 1-3, p. 159-167). https://doi.org/10.1016/S0166-1280(00)00442-5
Monnerville, M., Péoux, G., Briquez, S., Halvick, P. (). Three-dimensional time-dependent study of a reaction involving three different heavy atoms and a very deep well: Application to the C+NO → CN+O exchange reaction. In Chemical Physics Letters (Vol. 322, Issue 3-4, p. 157-165). https://doi.org/10.1016/S0009-2614(00)00410-3
Boggio-Pasqua, M., Voronin, A.I., Halvick, P., Rayez, J.C. (). Global analytical representations of the three lowest potential energy surfaces of C2H, and rate constant calculations for the C(3P) + CH(2II) reaction. In Physical Chemistry Chemical Physics (Vol. 2, Issue 8, p. 1693-1700). https://doi.org/10.1039/a908692g
Boggio-Pasqua, M., Voronin, A.I., Halvick, P., Rayez, J., Varandas, A.J.C. (). Coupled ab initio potential energy surfaces for the two lowest 2A′ electronic states of the C2H molecule. In Molecular Physics (Vol. 98, Issue 23, p. 1925-1938). https://doi.org/10.1080/00268970009483396
Boggio-Pasqua, M., Halvick, P., Rayez, M.T., Rayez, J.C., Robbe, J.M. (). Ab initio study of the potential energy surfaces for the reaction C + CH → C2 + H. In Journal of Physical Chemistry A (Vol. 102, Issue 11, p. 2009-2015). https://doi.org/10.1021/jp9726596
Thürwächter, R., Halvick, P. (). Ab initio quasidiabatic states for the reaction N + CH → NC + H. In Chemical Physics (Vol. 221, Issue 1-2, p. 33-44). https://doi.org/10.1016/S0301-0104(97)00142-0
Dannenberg, J.J., Liotard, D., Halvick, P., Rayez, J.C. (). Theoretical studies of high-spin organic molecules. 1. Enhanced coupling between multiple unpaired electrons. In Journal of Physical Chemistry (Vol. 100, Issue 23, p. 9631-9637). https://doi.org/10.1021/jp953552q
Rayez, M.T., Halvick, P., Rayez, J.C., Millié, P., Lévy, B. (). Ab initio study of the potential energy surfaces for the reaction N(4Su +CH(X 2IIr) → CN(X 2Σ+, A 2IIi + H(2Sg). In Chemical Physics (Vol. 188, Issue 2-3, p. 161-170). https://doi.org/10.1016/0301-0104(94)00233-9
Halvick, P., Truhlar, D.G. (). Erratum: A new diabatic representation of the coupled potential energy surfaces for Na(3p2P)+H2→Na(3s2S)+H 2 or NaH+H (Journal of Chemical Physics (1992) 96 (2895)). In The Journal of Chemical Physics (Vol. 100, Issue 6, p. 4718). https://doi.org/10.1063/1.467282
Bonnet, L., Rayez, J.C., Halvick, P. (). A geometric model for the regular dynamical behaviour of collinear three-atom reactions involving an intermediate well. In Chemical Physics Letters (Vol. 216, Issue 1-2, p. 11-17). https://doi.org/10.1016/0009-2614(93)E1237-B
Halvick, P., Liotard, D., Rayez, J.C. (). A theoretical study of acetylene: toward the complete characterization of the singlet ground state potential energy surface. In Chemical Physics (Vol. 177, Issue 1, p. 69-78). https://doi.org/10.1016/0301-0104(93)80177-B
Schwenke, D.W., Mielke, S.L., Tawa, G.J., Friedman, R.S., Halvick, P., Truhlar, D.G. (). Converged quantum-mechanical calculations of electronic-to-vibrational, rotational energy transfer probabilities in a system with a conical intersection. In Chemical Physics Letters (Vol. 203, Issue 5-6, p. 565-572). https://doi.org/10.1016/0009-2614(93)85311-B
Bonnet, L., Rayez, J.C., Halvick, P. (). Statistical behavior of elementary collinear exchange reactions A+BC → AB+C. In Journal of Chemical Physics (Vol. 99, Issue 3, p. 1771-1784). https://doi.org/10.1063/1.465294
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Dannenberg, J.J., Rayez, J.C., Rayez-Meaume, M.T., Halvick, P. (). A theoretical study of the bond dissociations of small molecules using MNDO/CI. In Journal of Molecular Structure: THEOCHEM (Vol. 123, Issue 3-4, p. 343-359). https://doi.org/10.1016/0166-1280(85)80176-7
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