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García Iriepa, Cristina

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

Publications

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.
... View more Collapse

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

Editor: American Chemical Society

10.1021/acs.jproteome.0c00779 View at source

  • 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 View at source

  • 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.
... View more Collapse

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

Editor: Royal Society of Chemistry

10.1039/d1cp02967c View at source

  • 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 View at source

  • 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 View at source

  • 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.
... View more Collapse

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

10.1021/acs.jctc.5b00375 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • 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 View at source

  • ISSN/ISBN 1520-510X

This researcher has no books.

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
... View more Collapse

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

Editor: Universidad de La Rioja

  • ISSN/ISBN 978-84-09-12017-8

This researcher has no working papers.

This researcher has no technical reports.

This researcher has no research projects.

This researcher has no supervised thesis.

This researcher has no patents or software licenses.

Last data update: 9/16/23 6:47 PM