Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Large scale random phase calculations for direct self-consistent field wavefunctions
1993 Koch, Henrik; Ågren, Hans; Jørgensen, Poul; Helgaker, Trygve; Jensen, Hans Jørgen Aa.
Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene
1996 Christiansen, Ove; Koch, Henrik; Halkier, Asger; Jørgensen, Poul; Helgaker, Trygve; De Merás, Alfredo Sánchez
Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction
2018 Fales, B. S.; Seritan, S.; Settje, N. F.; Levine, B. G.; Koch, H.; Martinez, T. J.
Leveraging Fluorescent Emission to Unitary Yield: Dimerization of Polycyclic Aromatic Hydrocarbons
2019 Miletić, Tanja; Biot, Nicolas; Demitri, Nicola; Brancato, Giuseppe; Kariuki, Benson M.; Bonifazi, Davide
Line-by-line spectroscopic parameters of HFC-32 ro-vibrational transitions within the atmospheric window around 8.2 μm
2018 Tasinato, Nicola; Ceselin, Giorgia; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi
Line-mixing effect on NH3line intensities
2013 Aroui, H.; Ben Mabrouk, K.; Boussessi, R.
LINEAR OLIGOPEPTIDES .121. CONFORMATION OF PLEIONOMERS OF ALPHA-AMINOISOBUTYRIC-ACID
1985 Toniolo, C; Bonora, Gm; Barone, Vincenzo; Bavoso, A; Benedetti, E; Diblasio, B; Grimaldi, P; Lelj, F; Pavone, V; Pedone, C.
LINEAR OLIGOPEPTIDES .177. STRUCTURAL VERSATILITY OF PEPTIDES FROM C-ALPHA,ALPHA-DIALKYLATED GLYCINES - A CONFORMATIONAL ENERGY COMPUTATION AND X-RAY-DIFFRACTION STUDY OF HOMOPEPTIDES FROM 1-AMINOCYCLOHEXANE-1-CARBOXYLIC ACID
1988 Pavone, V; Benedetti, E; Barone, Vincenzo; Diblasio, B; Lelj, F; Pedone, C; Santini, A; Crisma, M; Bonora, Gm; Toniolo, C.
LINEAR OLIGOPEPTIDES .202. STRUCTURAL VERSATILITY OF PEPTIDES CONTAINING C-ALPHA,ALPHA-DIALKYLATED GLYCINES - AN X-RAY-DIFFRACTION STUDY OF 6 1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID RICH PEPTIDES
1989 Benedetti, E; Diblasio, B; Pavone, V; Pedone, C; Santini, A; Barone, Vincenzo; Fraternali, F; Lelj, F; Bavoso, A; Crisma, M; Toniolo, C.
LINEAR OLIGOPEPTIDES .223. STRUCTURAL VERSATILITY OF PEPTIDES FROM C-ALPHA,ALPHA-DISUBSTITUTED GLYCINES - PREFERRED CONFORMATION OF THE C-ALPHA,ALPHA-DIPHENYLGLYCINE RESIDUE
1990 Crisma, M; Valle, G; Bonora, Gm; Demenego, E; Toniolo, C; Lelj, F; Barone, Vincenzo; Fraternali, F.
Linear response properties of solvated systems: a computational study
2022 Goletto, Linda; Gomez, Sara; Andersen, Josefine H.; Koch, Henrik; Giovannini, Tommaso
Linear response theory and electronic transition energies for a fully polarizable QM/Classical Hamiltonian
2012 Lipparini, F.; Cappelli, Chiara; Barone, V.
Linear superposition of optimized non-orthogonal Slater determinants for singlet states
1993 Koch, Henrik; Dalgaard, Esper
Lipofuscin-like pigments by autoxidation of polyunsaturated fatty acids in the presence of amine neurotransmitters: The role of malondialdehyde
1996 D'Ischia, M.; Costantini, C.; Prota., G.
Local charge-displacement analysis : targeting local charge-flows in complex intermolecular interactions
2022 Nottoli, Giovanni; Ballotta, Bernardo; Rampino, Sergio
Looking for the Elusive Imine Tautomer of Creatinine: Different States of Aggregation Studied by Quantum Chemistry and Molecular Spectroscopy
2021 Leon, I.; Tasinato, N.; Spada, L.; Alonso, E. R.; Mata, S.; Balbi, A.; Puzzarini, C.; Alonso, J. L.; Barone, V.
Low temperature kinetics and theoretical studies of the reaction CN + CH3NH2: a potential source of cyanamide and methyl cyanamide in the interstellar medium
2018 Sleiman, Chantal; El Dib, Gisèle; Rosi, Marzio; Skouteris, Dimitrios; Balucani, Nadia; Canosa, André
Low- and high-density forms of liquid water revealed by a new medium-range order descriptor
2022 Faccio, C.; Benzi, M.; Zanetti-Polzi, L.; Daidone, I.
Low-lying electronic excitations of a water-soluble BODIPY: from the gas phase to the solvated molecule
2016 Egidi, Franco; Trani, Fabio; Ballone, Pietro A.; Barone, Vincenzo; Andreoni, Wanda
Luminescent chiral ionic Ir(III) complexes: Synthesis and photophysical properties
2016 Ricciardi, Loredana; La Deda, Massimo; Ionescu, Andreea; Godbert, Nicolas; Aiello, Iolinda; Ghedini, Mauro; Fusè, Marco; Rimoldi, Isabella; Cesarotti, Edoardo
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