المؤلفون: Josep M. Oliva, Luis Serrano-Andrés, Douglas J. Klein, Paul von Ragué Schleyer, Josef Michl

المصدر: International Journal of Photoenergy, Vol 2009 (2009)

مصطلحات موضوعية: Renewable energy sources, TJ807-830

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1110-662X; https://doaj.org/toc/1687-529X

URL الوصول: https://doaj.org/article/a29242686b3a4daa85b138b2b7eb3891

المؤلفون: Daniel Roca-Sanjuán, Gloria Olaso-González, Mercedes Rubio, Pedro B Coto, Manuela Merchán, Nicolas Ferré, Valdemir Ludwig, Luis Serrano-Andrés

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://media.iupac.org/publications/pac/2009/pdf/8104x0743.pdf.

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.1047.1570; http://media.iupac.org/publications/pac/2009/pdf/8104x0743.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.1047.1570
http://media.iupac.org/publications/pac/2009/pdf/8104x0743.pdf

المؤلفون: Antonio Carlos Borin, Juan José Serrano-Pérez, Daniel Roca-Sanjuán, Pedro B. Coto, Vicenta Sauri, Luis Serrano-Andrés, João Paulo Gobbo, Manuela Merchán, Roland Lindh, Marcus Lundberg

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Proton, 010405 organic chemistry, Hydrogen bond, Base pair, Guanine, Ab initio, Nanotechnology, DNA, 010402 general chemistry, 01 natural sciences, Tautomer, 0104 chemical sciences, Computer Science Applications, chemistry.chemical_compound, chemistry, Computational chemistry, Teoretisk kemi, Theoretical chemistry, Physical and Theoretical Chemistry, Theoretical Chemistry, Cytosine

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::49fd0cbef44be79372c189fd94d0300e
https://doi.org/10.1021/ct3006166

المؤلفون: João Paulo Gobbo, Luis Serrano-Andrés, Daniel Roca-Sanjuán, Vicenta Sauri, Antonio Carlos Borin, Manuela Merchán

المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

مصطلحات موضوعية: Ultraviolet Rays, Base pair, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, Reference wave, chemistry.chemical_compound, Quantum mechanics, Materials Chemistry, Complete active space, Physical and Theoretical Chemistry, Perturbation theory, Base Pairing, Adenine, Function (mathematics), 021001 nanoscience & nanotechnology, 0104 chemical sciences, Surfaces, Coatings and Films, Thymine, BIOFLAVONOIDES, chemistry, Protons, Atomic physics, 0210 nano-technology, Hydrogen

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7d6d00b235bb3fa98a52eadfeaa735f
https://doi.org/10.1021/jp300583h

المؤلفون: Tomáš Polívka, Michael G. S. Londesborough, Josep M. Oliva, Luis Serrano-Andrés, Drahomír Hnyk, Kamil Lang, Pavel Kubát, Vicenta Sauri, Jonathan Bould

المصدر: Digital.CSIC. Repositorio Institucional del CSIC
instname

مصطلحات موضوعية: Czech, Photochemistry, Chemistry, Foundation (engineering), Library science, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Fluorescence, language.human_language, 0104 chemical sciences, Inorganic Chemistry, Isomerism, language, media_common.cataloged_instance, Spectrophotometry, Ultraviolet, Christian ministry, Physical and Theoretical Chemistry, European union, Boranes, 0210 nano-technology, media_common

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3510d470ae8352f46b14d3b55a962f82
https://doi.org/10.1021/ic201726k

المؤلفون: Luis Serrano-Andrés

المصدر: International Journal of Quantum Chemistry. 111:3284-3290

مصطلحات موضوعية: Physics, Analytical chemistry, Physical and Theoretical Chemistry, Condensed Matter Physics, Spectroscopy, Atomic and Molecular Physics, and Optics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ef3ece0b752b9c1729e27b94c204c185
https://doi.org/10.1002/qua.23116

المؤلفون: Manuel Yáñez, José A. Gámez, Luis Serrano-Andrés

المصدر: International Journal of Quantum Chemistry. 111:3316-3323

مصطلحات موضوعية: Electron-capture dissociation, Ab initio quantum chemistry methods, Chemistry, Computational chemistry, Electron capture, Electron, Physical and Theoretical Chemistry, Conical intersection, Condensed Matter Physics, Antibonding molecular orbital, Atomic and Molecular Physics, and Optics, Dissociation (chemistry), Bond cleavage

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d9f29a7721889e87b01bcc6d1954f00a
https://doi.org/10.1002/qua.23015

المؤلفون: Luis Serrano-Andrés, Teresa Climent, Manuela Merchán, Juan José Serrano-Pérez, Daniel Roca-Sanjuán, Israel González-Ramírez

المصدر: Theoretical Chemistry Accounts. 128:705-711

مصطلحات موضوعية: 010304 chemical physics, Pyrimidine, Stereochemistry, Uracil, Pyrimidine dimer, 010402 general chemistry, Photochemistry, 01 natural sciences, 0104 chemical sciences, Thymine, Nucleobase, chemistry.chemical_compound, chemistry, 0103 physical sciences, Singlet state, Physical and Theoretical Chemistry, DNA, Cytosine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::20c2de1183598c84a925427a8fb23e71
https://doi.org/10.1007/s00214-010-0854-z

المؤلفون: Moisés Canle-L., Antonio Fernandez-Barbero, J. Arturo Santaballa, Luis Serrano-Andrés, Josep M. Oliva, M. Isabel Fernández

المصدر: Chemical Physics Letters. 497:172-177

مصطلحات موضوعية: chemistry.chemical_compound, Computational chemistry, Chemistry, General Physics and Astronomy, Electronic structure, Physical and Theoretical Chemistry, Borane

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c91f52bc8fec6d6a180184556024adc0
https://doi.org/10.1016/j.cplett.2010.08.018

المؤلفون: Luis Serrano-Andrés, Manuel Yáñez, José A. Gámez

المصدر: ChemPhysChem. 11:2530-2538

مصطلحات موضوعية: Models, Molecular, Electron capture, Chemistry, Electrons, Antibonding molecular orbital, Atomic and Molecular Physics, and Optics, Dissociation (chemistry), Electronegativity, Bond length, Crystallography, Delocalized electron, Molecular geometry, Computational chemistry, Thermodynamics, Molecular orbital, Disulfides, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::52e0828e7f75e8df56c6d0b6dd1fdb9b
https://doi.org/10.1002/cphc.201000320

المؤلفون: Luis Serrano-Andrés, Remedios González-Luque, Israel González-Ramírez, Manuela Merchán, Teresa Climent

المصدر: The Journal of Physical Chemistry Letters. 1:2072-2076

مصطلحات موضوعية: congenital, hereditary, and neonatal diseases and abnormalities, Physics::Biological Physics, Quantitative Biology::Biomolecules, Pyrimidine, Stereochemistry, Pyrimidine dimer, Uracil, Photochemistry, Quantitative Biology::Genomics, Nucleobase, Thymine, Cyclobutane, chemistry.chemical_compound, Intersystem crossing, chemistry, General Materials Science, Physical and Theoretical Chemistry, Cytosine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::184433f15200265c540b81a3a1fdd5d9
https://doi.org/10.1021/jz100601p

المؤلفون: Zélia Maria da Costa, Antonio Carlos Borin, Luis Serrano-Andrés, Valdemir Ludwig, Sylvio Canuto, Marcos Serrou do Amaral

المصدر: Chemical Physics Letters. 492:164-169

مصطلحات موضوعية: Aqueous solution, Chemical physics, Chemistry, Excited state, General Physics and Astronomy, Molecule, Physical and Theoretical Chemistry, Photochemistry, Ground state, Gas phase

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::4efdbc113e6482b2e5dbed900a799969
https://doi.org/10.1016/j.cplett.2010.04.048

المؤلفون: Thomas Bondo Pedersen, Francesco Aquilante, Mickaël G. Delcey, Roland Lindh, Luis Serrano-Andrés, Jonas Boström

المصدر: Journal of Chemical Theory and Computation. 6:747-754

مصطلحات موضوعية: Physics, Valence (chemistry), Mean squared error, Computer Science Applications, symbols.namesake, Atomic orbital, Rydberg formula, symbols, Complete active space, Physical and Theoretical Chemistry, Atomic physics, Basis set, Excitation, Cholesky decomposition

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::078bc829c1df5cb24dede72159002f9e
https://doi.org/10.1021/ct900612k

المؤلفون: Michal Pitonak, Valera Veryazov, Björn O. Roos, Francesco Aquilante, Roland Lindh, Pavel Neogrády, Luca De Vico, Markus Reiher, Luis Serrano-Andrés, Per-Åke Malmqvist, Miroslav Urban, Thomas Bondo Pedersen, Giovanni Ghigo, Nicolas Ferré

المصدر: Journal of Computational Chemistry. 31:224-247

مصطلحات موضوعية: 010304 chemical physics, Field (physics), Basis (linear algebra), Photochemistry, Computer science, Context (language use), General Chemistry, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Computational Mathematics, Coupled cluster, Atomic orbital, Computational chemistry, 0103 physical sciences, Quantum Theory, Statistical physics, Perturbation theory (quantum mechanics), Wave function, Algorithms, Software, Cholesky decomposition

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4fe7dc38e160119271521f8863084969
https://doi.org/10.1002/jcc.21318

المؤلفون: Zdeněk Havlas, Josep M. Oliva, Josef Michl, Luis Serrano-Andrés

المصدر: Journal of Molecular Structure: THEOCHEM. 912:13-20

مصطلحات موضوعية: Chemistry, Dimer, Ab initio, Electronic structure, Condensed Matter Physics, Hydrogen atom abstraction, Photochemistry, Biochemistry, chemistry.chemical_compound, Physics::Atomic and Molecular Clusters, Carborane, Singlet state, Physics::Chemical Physics, Physical and Theoretical Chemistry, Triplet state, Ground state

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d2df8ddd42d082b8cc0c7cb9a529a5a5
https://doi.org/10.1016/j.theochem.2009.01.033

المؤلفون: Gloria Olaso-Gonzalez, Daniel Roca-Sanjuán, Manuela Merchán, Luis Serrano-Andrés, Pedro B. Coto

المصدر: Theoretical Chemistry Accounts. 126:177-183

مصطلحات موضوعية: Electron transfer, chemistry.chemical_compound, Oligonucleotide, Chemical physics, Chemistry, Helix, Binding energy, Molecule, Physical and Theoretical Chemistry, Conical intersection, Atomic physics, DNA, Nucleobase

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::6c6f3fb06d0fcead8e959c6ee02da3c9
https://doi.org/10.1007/s00214-009-0626-9

المؤلفون: Teresa Climent, Luis Serrano-Andrés, Manuela Merchán, Remedios González-Luque, Israel González-Ramírez, Juan José Serrano-Pérez

المصدر: Pure and Applied Chemistry. 81:1695-1705

مصطلحات موضوعية: Pyrimidine, Stereochemistry, Oligonucleotide, General Chemical Engineering, RNA, General Chemistry, Photochemistry, Quantum chemistry, Nucleobase, chemistry.chemical_compound, chemistry, Yield (chemistry), Cytosine, DNA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d43ee9b6f2ec937d80547d1b9ae4fc06
https://doi.org/10.1351/pac-con-08-08-31

المؤلفون: Gloria Olaso-Gonzalez, Juan José Serrano-Pérez, Manuela Merchán, Luis Serrano-Andrés

المصدر: Chemical Physics. 360:85-96

مصطلحات موضوعية: chemistry.chemical_compound, Intersystem crossing, chemistry, Singlet oxygen, Furocoumarin, Excited state, Singlet fission, General Physics and Astronomy, Electronic structure, Physical and Theoretical Chemistry, Triplet state, Photochemistry, Thymine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::cc4ab8494dd4b5c938efd57e6f7c1e53
https://doi.org/10.1016/j.chemphys.2009.04.014

المؤلفون: Manuela Merchán, Gloria Olaso-Gonzalez, Luis Serrano-Andrés

المصدر: Journal of the American Chemical Society. 131:4368-4377

مصطلحات موضوعية: Models, Molecular, Photochemistry, Ultraviolet Rays, Molecular Conformation, Oligonucleotides, Ab initio, Excimer, Biochemistry, Catalysis, Nucleobase, Colloid and Surface Chemistry, Ultrafast laser spectroscopy, Singlet state, Quantitative Biology::Biomolecules, Chemistry, Adenine, DNA, General Chemistry, Conical intersection, Internal conversion (chemistry), Chemical physics, Nucleic Acid Conformation, Spectrophotometry, Ultraviolet, Ground state, Dimerization, Hydrogen

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c423ce2be32f8a35701ac84f87c988b
https://doi.org/10.1021/ja808280j

المؤلفون: Manuela Merchán, Luis Serrano-Andrés

المصدر: Journal of Photochemistry and Photobiology C: Photochemistry Reviews. 10:21-32

مصطلحات موضوعية: Guanine, Organic Chemistry, Uracil, Conical intersection, Internal conversion (chemistry), Photochemistry, Catalysis, Thymine, Nucleobase, chemistry.chemical_compound, chemistry, Excited state, Physical and Theoretical Chemistry, Cytosine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e81f3cb305787309bc2ca1c8d0fe34af
https://doi.org/10.1016/j.jphotochemrev.2008.12.001