Sfoglia per Chimica e Geologia
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
The Dalton quantum chemistry program system
2014 Aidas, Kestutis; Angeli, Celestino; Bak, Keld L.; Bakken, Vebjørn; Bast, Radovan; Boman, Linus; Christiansen, Ove; Cimiraglia, Renzo; Coriani, Sonia; Dahle, Pål; Dalskov, Erik K.; Ekström, Ulf; Enevoldsen, Thomas; Eriksen, Janus J.; Ettenhuber, Patrick; Fernández, Berta; Ferrighi, Lara; Fliegl, Heike; Frediani, Luca; Hald, Kasper; Halkier, Asger; Hättig, Christof; Heiberg, Hanne; Helgaker, Trygve; Hennum, Alf Christian; Hettema, Hinne; Hjertenæs, Eirik; Høst, Stinne; Høyvik, Ida-Marie; Iozzi, Maria Francesca; Jansík, Branislav; Jensen, Hans Jørgen Aa; Jonsson, Dan; Jørgensen, Poul; Kauczor, Joanna; Kirpekar, Sheela; Kjærgaard, Thomas; Klopper, Wim; Knecht, Stefan; Kobayashi, Rika; Koch, Henrik; Kongsted, Jacob; Krapp, Andreas; Kristensen, Kasper; Ligabue, Andrea; Lutnæs, Ola B.; Melo, Juan I.; Mikkelsen, Kurt V.; Myhre, Rolf H.; Neiss, Christian; Nielsen, Christian B.; Norman, Patrick; Olsen, Jeppe; Olsen, Jógvan Magnus H.; Osted, Anders; Packer, Martin J.; Pawlowski, Filip; Pedersen, Thomas B.; Provasi, Patricio F.; Reine, Simen; Rinkevicius, Zilvinas; Ruden, Torgeir A.; Ruud, Kenneth; Rybkin, Vladimir V.; Sałek, Pawel; Samson, Claire C. M.; de Merás, Alfredo Sánchez; Saue, Trond; Sauer, Stephan P. A.; Schimmelpfennig, Bernd; Sneskov, Kristian; Steindal, Arnfinn H.; Sylvester-Hvid, Kristian O.; Taylor, Peter R.; Teale, Andrew M.; Tellgren, Erik I.; Tew, David P.; Thorvaldsen, Andreas J.; Thøgersen, Lea; Vahtras, Olav; Watson, Mark A.; Wilson, David J. D.; Ziolkowski, Marcin; Ågren, Hans
David Bishop approach to vibrational dynamic contributions to molecular properties. Application to Jones and Magnetoelectric birefringences in diatomic molecules
2011 A., Rizzo; Cappelli, Chiara
Deciphering Copper Coordination in the Mammalian Prion Protein Amyloidogenic Domain
2020 Salzano, G.; Brennich, M.; Mancini, G.; Tran, T. H.; Legname, G.; D'Angelo, P.; Giachin, G.
Deciphering Molecular Mechanisms of Interface Buildup and Stability in Porous Si/Eumelanin Hybrids
2017 Pinna, Elisa; Melis, Claudio; Antidormi, Aleandro; Cardia, Roberto; Sechi, Elisa; Cappellini, Giancarlo; D'Ischia, Marco; Colombo, Luciano; Mula, Guido
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