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García Iriepa, Cristina

Química Analítica,Quím.Física e Ing.Quím / Universidad de Alcalá

Actividades

Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches

  • Francés-Monerris, A.
  • Hognon, C.
  • Miclot, T.
  • García-Iriepa, C.
  • Iriepa, I.
  • Terenzi, A.
  • Grandemange, S.
  • Barone, G.
  • Marazzi, M.
  • Monari, A.
... Ver más Contraer

Journal of Proteome Research (p. 4291-4315) - 2020

Editor: American Chemical Society

10.1021/acs.jproteome.0c00779 Ver en origen

  • ISSN/ISBN 1535-3907

Modeling chemical reactions by QM/MM calculations: The case of the tautomerization in fireflies bioluminescent systems

  • Berraud-Pache, R.
  • Garcia-Iriepa, C.
  • Navizet, I.

Frontiers in Chemistry - 2018

Editor: Frontiers Media S. A

10.3389/fchem.2018.00116 Ver en origen

  • ISSN/ISBN 2296-2646

Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection

  • Francés-Monerris, A.
  • García-Iriepa, C.
  • Iriepa, I.
  • Hognon, C.
  • Miclot, T.
  • Barone, G.
  • Monari, A.
  • Marazzi, M.
... Ver más Contraer

Physical Chemistry Chemical Physics (p. 22957-22971) - 2021

Editor: Royal Society of Chemistry

10.1039/d1cp02967c Ver en origen

  • ISSN/ISBN 1463-9076

Mechanochemical Tuning of Pyrene Absorption Spectrum Using Force Probes

  • Fernández-González, M.A.
  • Rivero, D.
  • García-Iriepa, C.
  • Sampedro, D.
  • Frutos, L.M.

Journal of Chemical Theory and Computation (p. 727-736) - 2017

10.1021/acs.jctc.6b01020 Ver en origen

  • ISSN/ISBN 1549-9618

Mechanism and Scope of Phosphinidene Transfer from Dibenzo-7-phosphanorbornadiene Compounds

  • Transue, W.J.
  • Velian, A.
  • Nava, M.
  • García-Iriepa, C.
  • Temprado, M.
  • Cummins, C.C.

Journal of the American Chemical Society (p. 10822-10831) - 2017

Editor: American Chemical Society

10.1021/jacs.7b05464 Ver en origen

  • ISSN/ISBN 1520-5126

Mechanical Forces Alter Conical Intersections Topology

  • Rivero, D.
  • Valentini, A.
  • Fernández-González, M.A.
  • Zapata, F.
  • García-Iriepa, C.
  • Sampedro, D.
  • Palmeiro, R.
  • Frutos, L.M.
... Ver más Contraer

Journal of Chemical Theory and Computation (p. 3740-3745) - 2015

10.1021/acs.jctc.5b00375 Ver en origen

  • ISSN/ISBN 1549-9618

Mechanical Activation of Forbidden Photoreactivity in Oxa-di-π-methane Rearrangement

  • Jodra, A.
  • García-Iriepa, C.
  • Frutos, L.M.

Journal of Organic Chemistry (p. 12586-12595) - 2022

Editor: American Chemical Society

10.1021/acs.joc.2c00720 Ver en origen

  • ISSN/ISBN 1520-6904

Light emission colour modulation study of oxyluciferin synthetic analogues: Via QM and QM/MM approaches

  • Zemmouche, M.
  • García-Iriepa, C.
  • Navizet, I.

Physical Chemistry Chemical Physics (p. 82-91) - 2019

Editor: Royal Society of Chemistry

10.1039/c9cp04687a Ver en origen

  • ISSN/ISBN 1463-9076

Level of theory and solvent effects on DASA absorption properties prediction: Comparing TD-DFT, CASPT2 and NEVPT2

  • García-Iriepa, C.
  • Marazzi, M.

Materials - 2017

Editor: MDPI AG

10.3390/ma10091025 Ver en origen

  • ISSN/ISBN 1996-1944

Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations

  • Quílez-Alburquerque, J.
  • García-Iriepa, C.
  • Marazzi, M.
  • Descalzo, A.B.
  • Orellana, G.

Inorganic Chemistry (p. 328-337) - 2022

Editor: American Chemical Society

10.1021/acs.inorgchem.1c02887 Ver en origen

  • ISSN/ISBN 1520-510X

Este/a investigador/a no tiene libros.

Retinal inspired photoswitches: from the isomerization mechanisms toward recent applications

  • Marco Marazzi
  • Cristina García Iriepa

Photoisomerization: causes, behavior, and effects (p. 189-238) - 2019

Editor: Nova Science Publishers

  • ISSN/ISBN 978-1-53615-313-2

Photocontrol of the citotoxic activity in cancer cells using new E / Z molecular switches

  • David Martínez López
  • Cristina García Iriepa
  • Sergio Piñeiro Hermida
  • Iciar P. López
  • Elvira Alfaro Arnedo
  • Diana Fernández Martínez
  • José G. Pichel
  • Pedro José Campos García
  • Diego Sampedro Ruiz
... Ver más Contraer

X Jornada de Química CISQ (p. 19-19) - 2019

Editor: Universidad de La Rioja

  • ISSN/ISBN 978-84-09-12017-8

Este/a investigador/a no tiene documentos de trabajo.

Este/a investigador/a no tiene informes técnicos.

Este/a investigador/a no tiene proyectos de investigación.

Este/a investigador/a no tiene tesis dirigidas.

Este/a investigador/a no tiene patentes o licencias de software.

Última actualización de los datos: 16/09/23 18:47