Química teórica e computacional
QTEC
University of Vienna
Viena, AustriaPublicacións en colaboración con investigadores/as de University of Vienna (4)
2018
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Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals
Journal of Physical Chemistry A, Vol. 122, Núm. 21, pp. 4790-4800
2016
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TEACHING THE IMPORTANCE OF SPIN ADAPTED CONFIGURATIONS IN CHEMISTRY DEGREES
EDULEARN16: 8TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES
2014
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Beyond the molecular orbital conception of electronically excited states through the quantum theory of atoms in molecules
Physical Chemistry Chemical Physics, Vol. 16, Núm. 20, pp. 9249-9258
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Unraveling the factors that control soft landing of small silyl ions on fluorinated self-assembled monolayers
Journal of Physical Chemistry C, Vol. 118, Núm. 19, pp. 10159-10169