2020 | Dinmol USAL https://dinmol-usal.es GIR Dinámica Molecular - Univ. Salamanca Tue, 20 Apr 2021 07:23:07 +0000 es hourly 1 https://wordpress.org/?v=6.2.4 https://dinmol-usal.es/wp-content/uploads/2020/04/favicon.png 2020 | Dinmol USAL https://dinmol-usal.es 32 32 Probing the location of the unpaired electron in spin–orbit changing collisions of NO with Ar https://dinmol-usal.es/probing-the-location-of-the-unpaired-electron-in-spin-orbit-changing-collisions-of-no-with-ar https://dinmol-usal.es/probing-the-location-of-the-unpaired-electron-in-spin-orbit-changing-collisions-of-no-with-ar#respond Mon, 19 Apr 2021 15:57:32 +0000 http://dinmol-usal.es/?p=222585 Probing the location of the unpaired electron in spin–orbit changing collisions of NO with Ar

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

Ref. Phys. Chem. Chem. Phys. 22, 22289-22301 (2020) https://doi.org/10.1039/D0CP04228E

]]> https://dinmol-usal.es/probing-the-location-of-the-unpaired-electron-in-spin-orbit-changing-collisions-of-no-with-ar/feed 0 A Novel Cytotoxic Conjugate Derived from the Natural Product Podophyllotoxin as a Direct-Target Protein Dual Inhibitor https://dinmol-usal.es/a-novel-cytotoxic-conjugate-derived-from-the-natural-product-podophyllotoxin-as-a-direct-target-protein-dual-inhibitor https://dinmol-usal.es/a-novel-cytotoxic-conjugate-derived-from-the-natural-product-podophyllotoxin-as-a-direct-target-protein-dual-inhibitor#respond Mon, 19 Apr 2021 15:50:23 +0000 http://dinmol-usal.es/?p=222582 A Novel Cytotoxic  Conjugate Derived from the Natural Product Podophyllotoxin as a Direct-Target Protein Dual Inhibitor

Authors:  AP Hernández, P. Díez, P. A. García, M. Pérez-Andrés, P. Ortega, P. G. Jambrina, D. Díez, M. A. Castro, M. Fuentes

Ref. Molecules 25, 4258 (2020) https://doi.org/10.3390/molecules25184258

]]> https://dinmol-usal.es/a-novel-cytotoxic-conjugate-derived-from-the-natural-product-podophyllotoxin-as-a-direct-target-protein-dual-inhibitor/feed 0 Unveiling shape resonances in H + HF collisions at cold energies https://dinmol-usal.es/unveiling-shape-resonances-in-h-hf-collisions-at-cold-energies https://dinmol-usal.es/unveiling-shape-resonances-in-h-hf-collisions-at-cold-energies#respond Mon, 19 Apr 2021 15:41:27 +0000 http://dinmol-usal.es/?p=222579 Unveiling shape resonances in H + HF collisions at cold energies

Authors: P. G. Jambrina, L. González-Sánchez, M. Lara, M. Menéndez, F. J. Aoiz

Ref. Phys. Chem. Chem. Phys.  22, 24943-24950 (2020) https://doi.org/10.1039/D0CP04885B

]]> https://dinmol-usal.es/unveiling-shape-resonances-in-h-hf-collisions-at-cold-energies/feed 0 Thermalisation of C2- with noble gases in cold ion traps https://dinmol-usal.es/thermalisation-of-c2-with-noble-gases-in-cold-ion-traps https://dinmol-usal.es/thermalisation-of-c2-with-noble-gases-in-cold-ion-traps#respond Mon, 19 Apr 2021 15:20:04 +0000 http://dinmol-usal.es/?p=222572 Thermalisation of  C2 with noble gases in cold ion traps

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

Ref. International Journal of Mass Spectrometry 457, 116426 (2020) https://doi.org/10.1016/j.ijms.2020.116426

]]> https://dinmol-usal.es/thermalisation-of-c2-with-noble-gases-in-cold-ion-traps/feed 0 Ro-vibrational quenching of C2- anions in collisions with He atoms, Ne, and Ar atoms https://dinmol-usal.es/ro-vibrational-quenching-of-c2-anions-in-collisions-with-he-atoms https://dinmol-usal.es/ro-vibrational-quenching-of-c2-anions-in-collisions-with-he-atoms#respond Wed, 20 May 2020 07:52:06 +0000 http://dinmol-usal.es/ro-vibrational-quenching-of-c2-anions-in-collisions-with-he-atoms Ro-vibrational quenching of C2– anions in collisions with He, Ne, and Ar atoms 

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

Ref. Phys. Rev. A 102, 062810 (2020) https://doi.org/10.1016/j.ijms.2020.116426

]]> https://dinmol-usal.es/ro-vibrational-quenching-of-c2-anions-in-collisions-with-he-atoms/feed 0 Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: a computational comparison https://dinmol-usal.es/rotational-state-changing-collisions-of-c2h%e2%88%92-and-c2n%e2%88%92-anions-with-he-und-er-interstellar-and-cold-ion-trap-conditions-a-computational-comparison https://dinmol-usal.es/rotational-state-changing-collisions-of-c2h%e2%88%92-and-c2n%e2%88%92-anions-with-he-und-er-interstellar-and-cold-ion-trap-conditions-a-computational-comparison#respond Wed, 20 May 2020 07:51:31 +0000 http://dinmol-usal.es/rotational-state-changing-collisions-of-c2h%e2%88%92-and-c2n%e2%88%92-anions-with-he-und-er-interstellar-and-cold-ion-trap-conditions-a-computational-comparison Rotational state-changing collisions of C2H− and C2N− anions with He under interstellar and cold ion trap conditions: a computational comparison

Authors: Jan Franz, Barry Mant, Lola González-Sánchez, Roland Wester

Ref. J. Chem. Phys., 152, 234303 (2020), DOI: doi.org/10.1063/5.0011585

]]> https://dinmol-usal.es/rotational-state-changing-collisions-of-c2h%e2%88%92-and-c2n%e2%88%92-anions-with-he-und-er-interstellar-and-cold-ion-trap-conditions-a-computational-comparison/feed 0 Rotationally inelastic collisions of CN− with He: Computing cross sections and rates in the Interstellar Medium https://dinmol-usal.es/rotationally-inelastic-collisions-of-cn%e2%88%92-with-he-computing-cross-sections-and-rates-in-the-interstellar-medium https://dinmol-usal.es/rotationally-inelastic-collisions-of-cn%e2%88%92-with-he-computing-cross-sections-and-rates-in-the-interstellar-medium#respond Wed, 20 May 2020 07:50:46 +0000 http://dinmol-usal.es/rotationally-inelastic-collisions-of-cn%e2%88%92-with-he-computing-cross-sections-and-rates-in-the-interstellar-medium Rotationally inelastic collisions of CN− with He: Computing cross sections and rates in the Interstellar Medium

Authors: L Gonzalez-Sanchez, Barry P. Mant, Roland Wester and Franco A. Gianturco

Ref.Astrophysical Journal, 897, 75 (2020) DOI: 10.3847/1538-4357/ab94a0

]]> https://dinmol-usal.es/rotationally-inelastic-collisions-of-cn%e2%88%92-with-he-computing-cross-sections-and-rates-in-the-interstellar-medium/feed 0 Photodetachment in cold ion traps Rotational state selective C2H- losses from quantum dynamics https://dinmol-usal.es/photodetachment-in-cold-ion-traps-rotational-state-selective-c2h-losses-from-quantum-dynamics https://dinmol-usal.es/photodetachment-in-cold-ion-traps-rotational-state-selective-c2h-losses-from-quantum-dynamics#respond Wed, 20 May 2020 07:50:10 +0000 http://dinmol-usal.es/photodetachment-in-cold-ion-traps-rotational-state-selective-c2h-losses-from-quantum-dynamics Photodetachment in cold ion traps Rotational state selective C2H– losses from quantum dynamics

Authors: Barry P. Mant, Markus Notzold, Lola Gonzalez-Sanchez, Roland Wester, Francesco Antonio Gianturco

Ref. Eur. Phys. J. D, 74, 134 (2020) DOI: 10.1140/epjd/e2020-10043-6
]]> https://dinmol-usal.es/photodetachment-in-cold-ion-traps-rotational-state-selective-c2h-losses-from-quantum-dynamics/feed 0 Differential cross sections and collision-induced rotational alignment in inelastic scattering of NO (X) by Xe https://dinmol-usal.es/differential-cross-sections-and-collision-induced-rotational-alignment-in-inelastic-scattering-of-no-x-by-xe https://dinmol-usal.es/differential-cross-sections-and-collision-induced-rotational-alignment-in-inelastic-scattering-of-no-x-by-xe#respond Wed, 20 May 2020 07:49:04 +0000 http://dinmol-usal.es/differential-cross-sections-and-collision-induced-rotational-alignment-in-inelastic-scattering-of-no-x-by-xe Differential cross sections and collision-induced rotational alignment in inelastic scattering of NO (X) by Xe

Authors: Brouard, H. Chadwick, S. D. S. Gordon, C. G. Heid, B. Hornung, B. Nichols, J. Klos, P. G. Jambrina, F. J. Aoiz

Ref. Chin. J. Chem. Phys., 33, 217-233, (2020),  DOI: doi.org/10.1063/1674-0068/cjcp2002020

 

]]> https://dinmol-usal.es/differential-cross-sections-and-collision-induced-rotational-alignment-in-inelastic-scattering-of-no-x-by-xe/feed 0 Antileishmanial activity of terpenylquinones on Leishmania infantum and their effects on Leishmania topoisomerase IB https://dinmol-usal.es/antileishmanial-activity-of-terpenylquinones-on-leishmania-infantum-and-their-effects-on-leishmania-topoisomerase-ib https://dinmol-usal.es/antileishmanial-activity-of-terpenylquinones-on-leishmania-infantum-and-their-effects-on-leishmania-topoisomerase-ib#respond Wed, 20 May 2020 07:48:35 +0000 http://dinmol-usal.es/antileishmanial-activity-of-terpenylquinones-on-leishmania-infantum-and-their-effects-on-leishmania-topoisomerase-ib Antileishmanial activity of terpenylquinones on Leishmania infantum and their effects on Leishmania topoisomerase IB

Authors: Pérez-Pertejo, J. M. Escudero-Martínez, R. M. Reguera, R. Balaña-Fouce, P. A. García, P. G. Jambrina, A. San-Feliciano, M. A. Castro

Ref. Int. J. Parasitol.-Drugs Drug Resist., 33, 217-233, (2020), DOI:doi.org/10.1016/j.ijpddr.2019.10.004

]]> https://dinmol-usal.es/antileishmanial-activity-of-terpenylquinones-on-leishmania-infantum-and-their-effects-on-leishmania-topoisomerase-ib/feed 0