Physics
Listando 21 trabajos del autor/autora 38
Lista de trabajos en el área Physics
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Fluorescent bicolour sensor for low-background neutrinoless double beta decay experiments
Rivilla, Ivan; Aparicio, Borja; Bueno, Juan M.; Casanova, David; Tonnele, Claire; Freixa, Zoraida; Herrero, Pablo; Rogero, Celia; Miranda, Jose, I; Martinez-Ojeda, Rosa M.; Monrabal, Francesc; Olave, Benet; Schafer, Thomas; Artal, Pablo; Nygren, David; Cos
NATURE
0028-0836 (2020)
DOI /
10.1038/s41586-020-2431-5
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5
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11
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Competition between triplet pair formation and excimer-like recombination controls singlet fission yield
Huang, Yuqing; Buyanova, Irina A.; Phansa, Chanakarn; Sandoval-Salinas, Maria E.; Casanova, David; Myers, William K.; Greenham, Neil C.; Rao, Akshay; Chen, Weimin M.; Puttisong, Yuttapoom
CELL REPORTS PHYSICAL SCIENCE
(2021)
DOI /
10.1016/j.xcrp.2021.100339
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5
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Coupling of Molecular Emitters and Plasmonic Cavities beyond the Point-Dipole Approximation
Neuman, Tomas; Esteban, Ruben; Casanova, David; Garcia-Vidal, Francisco J.; Aizpurua, Javier
NANO LETTERS
1530-6984 (2018)
DOI /
10.1021/acs.nanolett.7b05297
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6
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Calculation of spin-orbit couplings using RASCI spinless one-particle density matrices: Theory and applications
Carreras, Abel; Jiang, Hanjie; Pokhilko, Pavel; Krylov, Anna, I; Zimmerman, Paul M.; Casanova, David
JOURNAL OF CHEMICAL PHYSICS
0021-9606 (2020)
DOI /
10.1063/5.0029146
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4
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Short-range DFT energy correction to multiconfigurational wave functions for open-shell systems
Rodriguez-Jimenez, Jose Aaron; Carreras, Abel; Casanova, David
JOURNAL OF CHEMICAL PHYSICS
0021-9606 (2021)
DOI /
10.1063/5.0046404
Bronze
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17
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Tetravalent Oxygen and Sulphur Centres Mediated by Carborane Superacid: Theoretical Analysis
Grabowski, Slawomir J.; Casanova, David; Formoso, Elena; Ugalde, Jesus M.
CHEMPHYSCHEM
1439-4235 (2019)
DOI /
10.1002/cphc.201900687
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4
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Spin-flip methods in quantum chemistry
Casanova, David; Krylov, Anna, I
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2020)
DOI /
10.1039/c9cp06507e
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13
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Benzene Excimer and Excited Multimers: Electronic Character, Interaction Nature, and Aromaticity
Diaz-Andres, Aitor; Casanova, David
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2021)
DOI /
10.1021/acs.jpclett.1c01908
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15
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Mild Open-Shell Character of BODIPY and Its Impact on Singlet and Triplet Excitation Energies
Postils, Veronica; Ruiperez, Fernando; Casanova, David
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2021)
DOI /
10.1021/acs.jctc.1c00544
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18
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The role of CT excitations in PDI aggregates
Zubiria-Ulacia, Maria; Matxain, Jon M.; Casanova, David
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2020)
DOI /
10.1039/d0cp02344b
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15
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Flavylium Fluorophores as Near-Infrared Emitters
Uranga-Barandiaran, Olatz; Casanova, David; Castet, Frederic
CHEMPHYSCHEM
1439-4235 (2020)
DOI /
10.1002/cphc.202000544
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Short-range density functional correlation within the restricted active space CI method
Casanova, David
JOURNAL OF CHEMICAL PHYSICS
0021-9606 (2018)
DOI /
10.1063/1.5018895
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10
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GW approximation for open-shell molecules: a first-principles study
Mansouri, Masoud; Casanova, David; Koval, Peter; Sanchez-Portal, Daniel
NEW JOURNAL OF PHYSICS
1367-2630 (2021)
DOI /
10.1088/1367-2630/ac1bf3
Gold
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6
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Photophysics of Molecular Aggregates from Excited State Diabatization
Carreras, Abel; Uranga-Barandiaran, Olatz; Castet, Frederic; Casanova, David
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2019)
DOI /
10.1021/acs.jctc.9b00019
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4
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Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods
Salvitti, Giovanna; Negri, Fabrizia; Perez-Jimenez, Angel J.; San-Fabian, Emilio; Casanova, David; Sancho-Garcia, Juan Carlos
JOURNAL OF PHYSICAL CHEMISTRY A
1089-5639 (2020)
DOI /
10.1021/acs.jpca.0c01239
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3
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Optical properties of quadrupolar and bi-quadrupolar dyes: intra and inter chromophoric interactions
Uranga-Barandiaran, Olatz; Catherin, Manon; Zaborova, Elena; D'Aleo, Anthony; Fages, Frederic; Castet, Frederic; Casanova, David
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2018)
DOI /
10.1039/c8cp05048a
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3
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MAI Termination Favors Efficient Hole Extraction and Slow Charge Recombination at the MAPbI(3)/CuSCN Heterojunction
He, Jinlu; Casanova, David; Fang, Wei-Hai; Long, Run; Prezhdo, Oleg, V
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2020)
DOI /
10.1021/acs.jpclett.0c01467
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2
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Improvement of the electrochemical and singlet fission properties of anthraquinones by modification of the diradical character
Lopez-Carballeira, Diego; Zubiria, Maria; Casanova, David; Ruiperez, Fernando
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2019)
DOI /
10.1039/c8cp07358a
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0
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From cyclic nanorings to single-walled carbon nanotubes: disclosing the evolution of their electronic structure with the help of theoretical methods
Perez-Guardiola, A.; Ortiz-Cano, R.; Sandoval-Salinas, M. E.; Fernandez-Rossier, J.; Casanova, D.; Perez-Jimenez, A. J.; Sancho-Garcia, J. C.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2019)
DOI /
10.1039/c8cp06615a
Green submitted
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Potential Use of Squarates and Croconates as Singlet Fission Sensitizers
Lopez-Carballeira, D.; Casanova, D.; Ruiperez, F.
CHEMPHYSCHEM
1439-4235 (2018)
DOI /
10.1002/cphc.201800329
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1
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Photosensitization mechanism of Cu(II) porphyrinst
Uranga, Jon; Matxain, Jon M.; Lopez, Xabier; Ugalde, Jesus M.; Casanova, David
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2017)
DOI /
10.1039/c7cp03319b
