JAVIER
SEGARRA MARTI
INVEST CONT RAMON Y CAJAL
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University of California, Irvine
Irvine, Estados UnidosPublications en collaboration avec des chercheurs de University of California, Irvine (9)
2023
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Journal of Chemical Theory and Computation, Vol. 19, Núm. 20, pp. 6933-6991
2018
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The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations
Theoretical Chemistry Accounts, Vol. 137, Núm. 3
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Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy
Topics in Current Chemistry, Vol. 376, Núm. 3
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Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates
Faraday Discussions, Vol. 207, pp. 233-250
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UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans -Azobenzene
Journal of Physical Chemistry Letters, Vol. 9, Núm. 7, pp. 1534-1541
2016
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Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate
Chemistry - A European Journal, Vol. 22, Núm. 22, pp. 7497-7507
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Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra
Theoretical Chemistry Accounts, Vol. 135, Núm. 5
2015
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Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy
Journal of Chemical Physics, Vol. 142, Núm. 21
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Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: First principles simulations
Faraday Discussions, Vol. 177, pp. 345-362