Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
FROM CONCEPTS TO ALGORITHMS FOR THE TREATMENT OF LARGE-AMPLITUDE INTERNAL MOTIONS AND UNIMOLECULAR REACTIONS
1995 Barone, Vincenzo; Minichino, C.
From Melanins to New Electroluminescent Materials for Bio-Inspired OLED Applications
2015 Manini, Paola; Criscuolo, Valeria; Pezzella, Alessandro; Crescenzi, Orlando; D’Ischia, Marco
From Melanins to OLED Devices: Taking Inspiration from the Black Human Pigments for the Design of Innovative Electroluminescent Materials
2017 Manini, Paola; Prontera, Carmela Tania; Criscuolo, Valeria; Pezzella, Alessandro; Crescenzi, Orlando; Pavone, Michele; D’Ischia, Marco
From Molecular Electrostatic Potentials to Solvation Models and Ending with Biomolecular Photophysical Processes
2010 J., Tomasi; Cappelli, Chiara; B., Mennucci; R., Cammi
From reactants to products via simple hydrogen-bonding networks: Information transmission in chemical reactions
2002 Brancato, Giuseppe; Coutrot, F; Leigh, Da; Murphy, A; Wong, Jky; Zerbetto, F.
From sequence to color: Tyrosine-containing tripeptides form eumelanin-like pigments with tunable properties
2017 D'Ischia, Marco; Messersmith P., B.
From The Holstein-Primakoff Transformation to Semiclassical Quantum Markovian Master Equations – with Applications in Magnetic Resonance
2020 Gyamfi, Jerryman
From vertical excitation energies of isolarted molecules to complete UV/vis spectra of flexible molecules in solution
2007 Barone, Vincenzo; A., Polimeno
FTIR spectra of CH2F2 in the 1000–1300cm−1 region: Rovibrational analysis and modeling of the Coriolis and anharmonic resonances in the ν3, ν5, ν7, ν9 and 2ν4 polyad
2016 Stoppa, Paolo; Tasinato, Nicola; Baldacci, Agostino; Pietropolli Charmet, Andrea; Giorgianni, Santi; Tamassia, Filippo; Cané, Elisabetta; Villa, Mattia
FTIR spectrum of vinyl fluoride near 3.6 μm: rovibrational analysis of the ν4+ν7 band and modelling Coriolis resonances in a seven-level polyad
2018 Stoppa, P.; De Lorenzi, A.; Pietropolli Charmet, A.; Giorgianni, S.; Tasinato, N.; Gambi, A.
Full Configuration - Interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions
1996 Olsen, Jeppe; Jørgensen, Poul; Koch, Henrik; Balkova, Anna; Bartlett, Rodney J.
Full parallel implementation of an all-electron four-component Dirac-Kohn-Sham program
2014 Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Storchi, Loriano
Fully anharmonic IR and Raman spectra of medium-size molecular systems: Accuracy and interpretation
2014 Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien
Fully Atomistic Modeling of Plasmonic Bimetallic Nanoparticles: Nanoalloys and Core-Shell Systems
2023 Nicoli, Luca; Lafiosca, Piero; Grobas Illobre, Pablo; Bonatti, Luca; Giovannini, Tommaso; Cappelli, Chiara
Fully Integrated Approach to Compute Vibrationally Resolved Optical Spectra: From Small Molecules to Macrosystems
2009 Barone, Vincenzo; Bloino, J.; Biczysko, M.; Santoro, F.
Fully Polarizable QM/Fluctuating Charge Approach to Two-Photon Absorption of Aqueous Solutions
2019 Di Remigio, Roberto; Giovannini, Tommaso; Ambrosetti, Matteo; Cappelli, Chiara; Frediani, Luca
Functional polymers by Nitroxide Radical Coupling (NRC) reaction
2017 Domenichelli, Ilaria
Fundamentals: general discussion
2016 Althorpe, Stuart C.; Beniwal, Vijay; Bolhuis, Peter G.; Brandão, João; Clary, David C.; Ellis, John; Fang, Wei; Glowacki, David R.; Hele, Timothy J. H.; Jónsson, Hannes; Kästner, Johannes; Makri, Nancy; Manolopoulos, David E.; Mckemmish, Laura K.; Menzl, Georg; Miller III, Thomas F.; Miller, William H.; Pollak, Eli; Rampino, Sergio; Richardson, Jeremy O.; Richter, Martin; Roy Chowdhury, Priyadarshi; Shalashilin, Dmitry; Tennyson, Jonathan; Welsch, Ralph
Funzionalizzazione di materiali melanici
2014 Mastropasqua Talamo, M; Ambrico, M; P F, Ambrico; Cardone, A; S R, Cicco; N F, Della Vecchia; Napolitano, A; Manini, P; D’Ischia, M; G M, Farinola
Furanosic forms of sugars: conformational equilibrium of methyl β-D-ribofuranoside
2016 Écija, Patricia; Uriarte, Iciar; Spada, Lorenzo; Davis, Benjamin G.; Caminati, Walther; Basterretxea, Francisco J.; Lesarri, Alberto; Cocinero, Emilio J.
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