Sfoglia per Chimica e Geologia
DMRG/FQ: a polarizable embedding approach combining density matrix renormalization group and fluctuating charges
2026 Rinaldi, Matteo; Sepali, Chiara; Kirk, Alicia Marie; Amovilli, C.; Cappelli, Chiara
DNA Capture Mechanism on Silicon Nanowires: a Molecular Dynamics Approach
2010 S., Monti; I., Cacelli; A., Ferretti; G., Prampolini; Barone, Vincenzo
DNA complementary and partially complementary tethered to a functionalized substrate:a molecular dynamics approach to biosensing
2011 S., Monti; I., Cacelli; A., Ferretti; G., Prampolini; Barone, Vincenzo
Do We Really Need Quantum Mechanics to Describe Plasmonic Properties of Metal Nanostructures?
2022 Giovannini, Tommaso; Bonatti, L.; Lafiosca, Piero; Nicoli, Luca; Castagnola, Matteo; Grobas Illobre, Pablo; Corni, Stefano; Cappelli, Chiara
Dopamine in the ink defence system of Sepia officinalis: biosynthesis, vesicular compartmentation in mature ink gland cells, nitric oxide (NO)/cGMP-induced depletion and fate in secreted ink
2003 Fiore, G; Poli, A; Di Cosmo, Anna; D'Ischia, Marco; Palumbo, A.
Dopamine-Based Coatings and Hydrogels: Toward Substitution-Related Structure-Property Relationships
2014 Cui, Jiaxi; Iturri, Jagoba; Paez, Julieta; Shafiq, Zahid; Serrano, Cristina; D'Ischia, Marco; Del Campo, Arynzazu
Dopaquinone redox exchange with dihydroxyindole and dihydroxyindole carboxylic acid
2006 Edge, R.; D'Ischia, M.; Land, E. J.; Napolitano, A.; Navaratnam, S.; Panzella, L.; Pezzella, A.; Ramsden, C. A.; Riley, P. A.
Double C-H Activation of Ethane by Metal-free SO2 •+ Radical Cations
2010 G., De Petris; A., Cartoni; A., Troiani; Barone, Vincenzo; P., Cimino; G., Angelini; O., Ursini
Drug-Free Hybrid Nanoarchitecture Modulation of the Metastatic Behavior of Pancreatic Ductal Adenocarcinoma in Alternative in Vivo Models
2023 Zamborlin, Agata; Sarogni, Patrizia; Frusca, Valentina; Gonnelli, Alessandra; Giannini, Noemi; Ermini, Maria Laura; Marranci, Andrea; Pagliari, Francesca; Mazzanti, Chiara Maria; Seco, Joao; Voliani, Valerio
Dual fluorescence through Kasha's rule breaking: an unconventional photomechanism for intracellular probe design
2015 Brancato, Giuseppe; Signore, Giovanni; Neyroz, Paolo; Polli, Dario; Cerullo, Giulio; Abbandonato, Gerardo; Nucara, Luca; Barone, Vincenzo; Beltram, Fabio; Bizzarri, Ranieri
Duschinsky, Herzberg–Teller, and Multiple Electronic Resonance Interferential Effects in Resonance Raman Spectra and Excitation Profiles. The Case of Pyrene
2013 Avila Ferrer, Francisco J.; Barone, Vincenzo; Santoro, Fabrizio; Cappelli, Chiara
Dye-sensitized photooxidation of vitamin E revisited. New 7-oxaspiro(4,5)dec-1-ene-3,6-dione product by oxygenation and ring contraction of alfa-tocopherol
1991 D'Ischia, M.; Costantini, C.; Prota., G.
Dynamic CCSD polarisabilities of CHF3 and CHCl3
1996 Kobayashi, Rika; Amos, Roger D.; Koch, Henrik; Jørgensen, Poul
A dynamical approach to the calculation of thermal reaction rate constants
2008 Conte, Riccardo
A Dynamics Investigation of the C + CH+ → C2++ H Reaction on an ab Initio Bond-Order-Like Potential
2016 Pacifici, Leonardo; Pastore, Mariachiara; Garcia, Ernesto; Laganà, Antonio; Rampino, Sergio
Dynamics of electro-opto-mechanical effects in swollen nematic elastomers
2008 Fukunaga, Atsushi; Urayama, Kenji; Takigawa, Toshikazu; De Simone, Antonio; Teresi, Luciano
The dynamics of the prototype abstraction reaction Cl(2P3/2,1/2) + H2: A comparison of crossed molecular beam experiments with exact quantum scattering calculations on coupled ab initio potential energy surfaces
2004 Balucani, N.; Skouteris, Dimitrios; Capozza, G.; Segoloni, E.; Casavecchia, P.; Alexander, M. H.; Capecchi, G.; Werner, H.
e T 2.0: An efficient open-source molecular electronic structure program
2026 Folkestad, S. D.; Kjønstad, E. F.; Paul, A. C.; Myhre, R. H.; Alessandro, R.; Angelico, S.; Balbi, A.; Barlini, A.; Bianchi, A.; Cappelli, C.; Castagnola, M.; Coriani, S.; El Moutaoukal, Y.; Giovannini, T.; Goletto, L.; Haugland, T. S.; Hollas, D.; Høyvik, I. M.; Lexander, M. T.; Lipovec, D.; Marrazzini, G.; Moitra, T.; Os, Y.; Paul, R.; Pedersen, J.; Rinaldi, M.; Riso, R. R.; Roet, S.; Ronca, E.; Rossi, F.; Sannes, B. S.; Schnack-Petersen, A. K.; Skeidsvoll, A. S.; Stoll, L.; Thiam, G.; Trabski, J. H. M.; Koch, H.
E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
2020 Folkestad, S. D.; Kjonstad, E. F.; Myhre, R. H.; Andersen, J. H.; Balbi, A.; Coriani, S.; Giovannini, T.; Goletto, L.; Haugland, T. S.; Hutcheson, A.; Hoyvik, I. -M.; Moitra, T.; Paul, A. C.; Scavino, M.; Skeidsvoll, A. S.; Tveten, H.; Koch, H.
E-HEME STRUCTURE IN CU,ZN SUPEROXIDE DISMUTASE FROM HAEMOPHILUS DUCREYI BY X-RAY ABSORPTION SPECTROSCOPY. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
2010 Dangelo, P; Zitolo, A; Pacello, F; Mancini, Giordano; Proux, O; Hazemanne, J. L.; Desideri, D; Battistoni,
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