Excited state, Atomic physics, Singlet state, Ground state and Ab initio quantum chemistry methods are her primary areas of study. Manuela Merchán has researched Excited state in several fields, including Cytosine, Complete active space, Valence, Rydberg state and Porphin. Her study in Atomic physics is interdisciplinary in nature, drawing from both Perturbation theory, Rydberg formula, Excitation and Molecular orbital theory.
Her Singlet state study combines topics from a wide range of disciplines, such as Electronic structure, Triplet state and Photoisomerization. Her work carried out in the field of Ground state brings together such families of science as Molecular physics, Potential energy and Nucleobase. Her studies examine the connections between Ab initio quantum chemistry methods and genetics, as well as such issues in Spectral line, with regards to Molecule.
Manuela Merchán mainly focuses on Excited state, Atomic physics, Singlet state, Computational chemistry and Photochemistry. Manuela Merchán has included themes like Molecule, Ab initio quantum chemistry methods, Absorption spectroscopy and Ground state in her Excited state study. Manuela Merchán interconnects Rydberg formula, Perturbation theory, Valence, Spectral line and Excitation in the investigation of issues within Atomic physics.
In her study, which falls under the umbrella issue of Singlet state, Intersystem crossing is strongly linked to Triplet state. Her Computational chemistry research is multidisciplinary, incorporating perspectives in Electronic correlation, Molecular physics, Ab initio, Quantum chemistry and Binding energy. Her studies in Photochemistry integrate themes in fields like Thymine, Adduct and Nucleobase.
Her main research concerns Nucleobase, Excited state, Photochemistry, Thymine and Molecular physics. Her Excited state research incorporates themes from Dimer, Molecule and Ground state. The Photochemistry study combines topics in areas such as Intersystem crossing, Quantum yield, Adduct and Uracil.
As part of her studies on Thymine, Manuela Merchán frequently links adjacent subjects like Atomic physics. Manuela Merchán has researched Atomic physics in several fields, including Absorption and Oscillator strength. Her work focuses on many connections between Molecular physics and other disciplines, such as Complete active space, that overlap with her field of interest in Perturbation theory and Base pair.
Manuela Merchán mainly investigates Thymine, Excited state, Photochemistry, Nucleobase and Atomic physics. Her studies deal with areas such as Quantum yield and Ground state as well as Excited state. Her research investigates the connection with Ground state and areas like Double bond which intersect with concerns in Dimer.
Manuela Merchán works mostly in the field of Photochemistry, limiting it down to concerns involving Intersystem crossing and, occasionally, Cyclobutane. Her study in Atomic physics is interdisciplinary in nature, drawing from both Perturbation theory, Quantum mechanics, Base pair and Complete active space. Conical intersection is closely attributed to Singlet state in her study.
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Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene
Luis Serrano‐Andrés;Manuela Merchán;Ignacio Nebot‐Gil;Roland Lindh.
Journal of Chemical Physics (1993)
Multiconfigurational perturbation theory: Applications in electronic spectroscopy
Björn O Roos;Kerstin Andersson;Markus P Fülscher;Per‐âke Malmqvist.
Advances in Chemical Physics: New Methods in Computational Quantum Mechanics, Volume 93 (1996)
Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization
Remedios González-Luque;Marco Garavelli;Fernando Bernardi;Manuela Merchán.
Proceedings of the National Academy of Sciences of the United States of America (2000)
Are the five natural DNA/RNA base monomers a good choice from natural selection? : A photochemical perspective
Luis Serrano-Andrés;Manuela Merchán.
Journal of Photochemistry and Photobiology C-photochemistry Reviews (2009)
Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions: III. First row transition metal atoms
Rosendo Pou-Amérigo;Manuela Merchán;Ignacio Nebot-Gil;Per-Olof Widmark.
Theoretical Chemistry Accounts (1995)
Adenine and 2-aminopurine: Paradigms of modern theoretical photochemistry
Luis Serrano-Andrés;Manuela Merchán;Antonio Carlos Borin.
Proceedings of the National Academy of Sciences of the United States of America (2006)
Ultrafast Internal Conversion of Excited Cytosine via the Lowest ππ* Electronic Singlet State
Manuela Merchán;Luis Serrano-Andrés.
Journal of the American Chemical Society (2003)
Unified model for the ultrafast decay of pyrimidine nucleobases.
Manuela Merchán;Remedios González-Luque;Teresa Climent;Luis Serrano-Andrés.
Journal of Physical Chemistry B (2006)
Quantum chemistry of the excited state: 2005 overview
Luis Serrano-Andrés;Manuela Merchán.
Journal of Molecular Structure-theochem (2005)
THEORETICAL STUDY OF THE INTERNAL CHARGE TRANSFER IN AMINOBENZONITRILES
Luis Serrano-Andres;Manuela Merchan;Bjoern O. Roos;Roland Lindh.
Journal of the American Chemical Society (1995)
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