Sfoglia per Chimica e Geologia
Frequency-dependent first hyperpolarizabilities using coupled cluster quadratic response theory
1997 Hättig, Christof; Christiansen, Ove; Koch, Henrik; Jørgensen, Poul
FREQUENCY-DEPENDENT HYPERPOLARIZABILITIES OF POLYYNES
1993 Jaszunski, M; Jorgensen, P; Koch, H; Agren, H; Helgaker, T
From ascorbic acid to furan derivatives: The gas phase acid catalyzed degradation of vitamin C
2018 Cimino, Paola; Troiani, Anna; Pepi, Federico; Garzoli, Stefania; Salvitti, Chiara; Di Rienzo, Brunella; Barone, Vincenzo; Ricci, Andreina
From classical density functionals to adiabatic connection methods. The state of the art
1999 Adamo, C.; DI MATTEO, A.; Barone, Vincenzo
From clinical description, to in vitro and animal studies, and backward to patients: Oxidative stress and mitochondrial dysfunction in Fanconi anemia
2013 Pagano, G; Talamanca, Aa; Castello, G; D'Ischia, Marco; Pallardo, Fv; Petrovic, S; Porto, B; Tiano, L; Zatterale, A.
From commercial tyrosine polymers to a tailored polydopamine platform: Concepts, issues and challenges en route to melanin-based bioelectronics
2015 Ambrico, Marianna; Ambrico, Paolo F.; Ligonzo, Teresa; Cardone, Antonio; Cicco, Stefania R.; D'Ischia, Marco; Farinola, Gianluca M.
FROM CONCEPTS TO ALGORITHMS FOR THE CHARACTERIZATION OF REACTION-MECHANISMS - H2CS AS A CASE-STUDY
1994 Minichino, C; Barone, Vincenzo
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
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