Publicaciones

Stereodynamic control of cold rotationally inelastic CO + HD collisions

Stereodynamic control of cold rotationally inelastic CO + HD collisions

Authors: P. G. Jambrina, J. F. E. Croft, N. Balakrishnan, F. J. Aoiz

Ref. Phys. Chem. Chem. Phys.  23, 19364-19374 (2021)   https://doi.org/10.1039/D1CP02755G

Quantum study of reaction O(3P) +H2(v,j) -> OH + H: OH formation in strongly UV-irradiated gas

Quantum study of reaction O(³P) +H₂(v,j) -> OH + H: OH formation in strongly UV-irradiated gas

Authors: A. Veselinova, M. Agúndez, J. R. Goicoechea, M. Menéndez, A. Zanchet, E. Verdasco, P. G. Jambrina, and F. J. Aoiz

Ref. A&A 648, A76 (2021)  https://doi.org/10.1051/0004-6361/202140428

The Role of Conserved Residues in the DeDDh Motif: the Proton-Transfer Mechanism of HIV-1 RNase H

The Role of Conserved Residues in the DeDDH Motif: The Proton-Transfer Mechanism of HIV-1 RNase H

Authors: Simon L. Dürr, Olga Bohuszewicz, Dénes Berta, Reynier Suardiaz, Pablo G. Jambrina, Christine Peter, Yihan Shao, and Edina Rosta

Ref. ACS catal. 2021, 11, 7915-7927  https://doi.org/10.1021/acscatal.1c01493

DpgC-catalyzed peroxidation of DPA-CoA: insights into the spin-forbidden transition and charge transfer mechanisms

DpgC‐Catalyzed Peroxidation of 3,5‐Dihydroxyphenylacetyl‐CoA (DPA‐CoA): Insights into the Spin‐Forbidden Transition and Charge Transfer Mechanisms

Authors: Pablo Ortega, Alexandre Zanchet, Cristina Sanz-Sanz, Susana Gómez-Carrasco, Lola González-Sánchez, Pablo G. Jambrina

Ref. Chem. Eur. J. 21, 1700-1712 (2021)  https://doi.org/10.1002/chem.202002993

Multi and single-reference methods for the analysis of multi-state peroxidation of enolates

Multi and single-reference methods for the analysis of multi-state peroxidation of enolates

Authors: P. Ortega,  S. Gil-Guerrero,  A. Veselinova,  A. Zanchet,  L. González-Sánchez,  P. G. Jambrina, and  C. Sanz-Sanz

Ref. J. Chem. Phys. 154, 144303 (2021)  https://aip.scitation.org/doi/10.1063/5.0046906.

Controlling the Spin–Orbit Branching Fraction in Molecular Collisions

Controlling the Spin–Orbit Branching Fraction in Molecular Collisions

Authors: C. G. Heid, I. P. Bentham, V. Walpole, P. G. Jambrina, F. J. Aoiz, M. Brouard

Ref. J. Phys. Chem. Lett. 12, 310-316 (2021)  https://pubs.acs.org/doi/abs/10.1021/acs.jpclett.0c02941

Vibrational Quenching of CN− in Collisions with He and Ar

Vibrational Quenching of CN– in Collisions with He and Ar

Authors: Barry Mant,  Ersin Yurtsever,  Lola González-Sánchez,  Roland Wester,  and Franco A. Gianturco

Ref. J. Chem. Phys. 154, 084305 (2021)  https://doi.org/10.1063/5.0039854

Energy-transfer quantum dynamics of HeH + with He atoms: Rotationally inelastic cross sections and rate coefficients

Energy-transfer quantum dynamics of HeH+ with He atoms: Rotationally inelastic cross sections and rate coefficients

Authors: F. A. Gianturco,K. Giri,L. González-Sánchez,E. Yurtsever,N. Sathyamurthy, and R. Wester

Ref. J. Chem. Phys. 154, 054311 (2021) https://doi.org/10.1063/5.0040018

Dynamics of HeHHe+ Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry

Dynamics of HeHHe+ Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry

Authors: González-Sánchez, Lola; Yurtsever, Ersin; Wester, Roland; Gianturco, Francesco

Ref. The Journal of Physical Chemistry A, under revision (2021)

Collision-driven state-changing efficiency of different buffer gases in cold traps: He(1S), Ar (1S) and p-H2(1Σ) on trapped CN−(1Σ)t

Collision-driven state-changing efficiency of different buffer gases in cold traps: He(1S), Ar (1S) and p-H2(1Σ) on trapped CN−(1Σ)t

Authors: Lola González-Sánchez, Ersin Yurtsever, Barry P. Mant, Roland Wester and Franco A. Gianturco

Ref.Phys. Chem. Chem. Phys., (2021), Advance Article https://doi.org/10.1039/D0CP03440A

Signature of shape resonances on the differential cross sections of the S(1D) + H2 reaction

_{Signature of shape resonances on the differential cross sections of the S(¹D) + H2 reaction}

Authors: P. G. Jambrina, M. Lara, F. J. Aoiz

Ref. J. Chem. Phys. 154, 124304 (2021) https://aip.scitation.org/doi/full/10.1063/5.0042967