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Gonzalez, Leticia
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ResearcherID: G-7770-2012
URL: http://www.researcherid.com/rid/G-7770-2012
Subject: Chemistry
Keywords: quantum chemistry; photophysics; photochemistry; quantum dynamics; molecular dynamics
ORCID: http://orcid.org/0000-0001-5112-794X
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My URLs: http://theochem.univie.ac.at
 
 

This list contains papers that I have authored.

publication(s)  
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1.  Title: Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine
 Author(s): Borin, Antonio Carlos; Mai, Sebastian; Marquetand, Philipp; et al.
 Source: Physical Chemistry Chemical Physics Volume: 19 Issue: 8 Pages: 5888-5894 Published: 2017
 Times Cited: 2
 DOI: 10.1039/c6cp07919a
added
17-Sep-17
2.  Title: Ab initio molecular dynamics relaxation and intersystem crossing mechanisms of 5-azacytosine.
 Author(s): Carlos Borin, Antonio; Mai, Sebastian; Marquetand, Philipp; et al.
 Source: Physical chemistry chemical physics : PCCP Volume: 19 Issue: 8 Pages: 5888-5894 Published: 2017-Feb-22
 DOI: 10.1039/c6cp07919a
added
19-Mar-17
3.  Title: An Asymmetric Redox Arylation: Chirality Transfer from Sulfur to Carbon through a Sulfonium [3,3]-Sigmatropic Rearrangement
 Author(s): Kaldre, Dainis; Maryasin, Boris; Kaiser, Daniel; et al.
 Source: Angewandte Chemie-International Edition Volume: 56 Issue: 8 Pages: 2212-2215 Published: FEB 13 2017
 Times Cited: 11
 DOI: 10.1002/anie.201610105
added
17-Sep-17
4.  Title: An Asymmetric Redox Arylation: Chirality Transfer from Sulfur to Carbon through a Sulfonium [3,3]-Sigmatropic Rearrangement.
 Author(s): Kaldre, Dainis; Maryasin, Boris; Kaiser, Daniel; et al.
 Source: Angewandte Chemie (International ed. in English) Volume: 56 Issue: 8 Pages: 2212-2215 Published: 2017-Feb-13
 DOI: 10.1002/anie.201610105
added
19-Mar-17
5.  Title: Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes
 Author(s): Atkins, Andrew J.; Talotta, Francesco; Freitag, Leon; et al.
 Source: Journal of Chemical Theory and Computation Volume: 13 Issue: 9 Pages: 4123-4145 Published: SEP 2017
 Times Cited: 0
 DOI: 10.1021/acs.jctc.7b00379
added
06-Nov-17
6.  Title: Challenges in Simulating Light-Induced Processes in DNA
 Author(s): Marquetand, Philipp; Nogueira, Juan J.; Mai, Sebastian; et al.
 Source: Molecules Volume: 22 Issue: 1 Published: JAN 2017
 Times Cited: 1
 DOI: 10.3390/molecules22010049
added
17-Sep-17
7.  Title: Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene.
 Author(s): Plasser, Felix; Mewes, Stefanie A; Dreuw, Andreas; et al.
 Source: Journal of chemical theory and computation Published: 2017-Oct-17
 DOI: 10.1021/acs.jctc.7b00718
added
06-Nov-17
8.  Title: Direct Determination of Metal Complexes' Interaction with DNA by Atomic Telemetry and Multiscale Molecular Dynamics
 Author(s): Czapla-Masztafiak, Joanna; Nogueira, Juan J.; Lipiec, Ewelina; et al.
 Source: Journal of Physical Chemistry Letters Volume: 8 Issue: 4 Pages: 805-811 Published: FEB 16 2017
 Times Cited: 0
 DOI: 10.1021/acs.jpclett.7b00070
added
17-Sep-17
9.  Title: Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis
 Author(s): Nogueira, Juan J.; Plasser, Felix; Gonzalez, Leticia
 Source: Chemical Science Volume: 8 Issue: 8 Pages: 5682-5691 Published: AUG 2017
 Times Cited: 1
 DOI: 10.1039/c7sc01600j
added
17-Sep-17
10.  Title: Impact of Lipid Environment on Photodamage Activation of Methylene Blue
 Author(s): Nogueira, Juan J.; Meixner, Maximilian; Bittermann, Marius; et al.
 Source: Chemphotochem Volume: 1 Issue: 5 Pages: 178-182 Published: MAY 2017
 Times Cited: 1
 DOI: 10.1002/cptc.201600062
added
17-Sep-17
publication(s)  
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