Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes
2007 Fernández, Berta; Pedersen, Thomas Bondo; Sánchez de Merás, Alfredo; Koch, Henrik
Coupled cluster calculations of the vertical excitation energies of tetracyanoethylene
2003 Garcia-Cuesta, I.; Sánchez de Merás, Alfredo M. J.; Koch, Henrik
Coupled cluster energy derivatives. Analytic Hessian for the closed-shell coupled cluster singles and doubles wave function: Theory and applications
1990 Koch, Henrik; Jensen, Hans Jørgen Aa; Jørgensen, Poul; Helgaker, Trygve; Scuseria, Gustavo E.; Schaefer III, Henry F.
Coupled cluster response calculation of natural chiroptical spectra
1999 Pedersen, Thomas Bondo; Koch, Henrik; Ruud, Kenneth
Coupled cluster response functions
1990 Koch, Henrik; Jørgensen, Poul
Coupled cluster response functions revisited
1997 Pedersen, Thomas Bondo; Koch, Henrik
Coupled cluster response theory in parameter subspaces
2009 Boman, Linus; Koch, Henrik
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
2020 Haugland, T. S.; Ronca, E.; Kjonstad, E. F.; Rubio, A.; Koch, H.
A Coupled Molecular Dynamics and XANES Data Analysis Investigation of Aqueous Cadmium(II)
2008 D'Angelo, P; Migliorati, V; Mancini, Giordano; Chillemi, G.
Coupled-cluster calculations on ferrocene and its protonated derivatives: Towards the final word on the mechanism of protonation of ferrocene?
2000 Mayor-Lopez, Mj; Luthi, Hp; Koch, H; Morgantini, Py; Weber, J
Cover Picture: Hollow Gold Cages and Their Topological Relationship to Dual Fullerenes (Chem. Eur. J. 26/2016)
2016 Trombach, Lukas; Rampino, Sergio; Wang, Lai-Sheng; Schwerdtfeger, Peter
Coverage-dependent self-assembly patterns of iron phtalocyanine on Ag(110): a comprehensive STM/DFT study
2010 M., Casarin; M., Di Marino; D., Forrer; M., Sambi; F., Sedona; E., Tondello; A., Vittadini; Barone, Vincenzo; M., Pavone
CPL Spectra of Camphor Derivatives in Solution by an Integrated QM/MD Approach
2020 Del Galdo, S.; Fuse', M.; Barone, V.
Crossed-beam dynamics, low temperature kinetics and theoretical studies of the reaction S(1D) + C2H4
2009 Leonori, F.; Petrucci, R.; Balucani, N.; Casavecchia, P.; Rosi, M.; Skouteris, Dimitrios; Berteloite, C.; Le Picard, S.; Canosa, A.; Sims, I. R.
Crossing conditions in coupled cluster theory
2017 Kjønstad, Eirik F.; Myhre, Rolf H.; Martínez, Todd J.; Koch, Henrik
CUBES: a library and a program suite for manipulating orbitals and densities
2015 Rampino, Sergio
Current development of noncollinear electronic structure theory
2018 Goings, Joshua J.; Egidi, Franco; Li, Xiaosong
Current Experience in Testing Mitochondrial Nutrients in Disorders Featuring Oxidative Stress and Mitochondrial Dysfunction: Rational Design of Chemoprevention Trials
2014 Pagano, Giovanni; Talamanca Annarita, Aiello; Castello, Giuseppe; Cordero Mario, D; D'Ischia, Marco; Gadaleta Maria, Nicola; Pallardo Federico, V.; Petrovic, Sandra; Tiano, Luca; Zatterale, Adriana
CYANOMETHANIMINE ISOMERS IN COLD INTERSTELLAR CLOUDS: INSIGHTS FROM ELECTRONIC STRUCTURE AND KINETIC CALCULATIONS
2015 Vazart, Fanny; Latouche, Camille; Skouteris, Dimitrios; Balucani, Nadia; Barone, Vincenzo
Cyclic structural motifs in 5,6-dihydroxyindole polymerization uncovered: biomimetic modular build-up of a unique five-membered macrocycle
2010 M., Arzillo; A., Pezzella; O., Crescenzi; A., Napolitano; E., Land; Barone, Vincenzo; M., D’Ischia
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file non ad Accesso aperto
- file sotto embargo
- nessun file disponibile