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Mostrati risultati da 1 a 20 di 55
Titolo Data di pubblicazione Autori File
Bosonic helium droplets with cationic impurities: Onset of electrostriction and snowball effects from quantum calculations 1-gen-2007 E. COCCIA +
Ionic dopants in He droplets: cluster energies from a variational and diffusion Monte Carlo approach 1-gen-2007 Emanuele Coccia +
Microsolvation of cationic dimers in 4He droplets: geometries of A2+(He) N (A=Li,Na,K) from optimized energies 1-gen-2007 COCCIA, EMANUELE +
Bosonic Helium clusters doped by alkali cations: interaction forces and analysis of their most stable structures 1-gen-2007 COCCIA E +
Quantum structuring of $^4$He Atoms around Ionic Dopants: energetics of Li$^+$, Na$^+$ and K$^+$ from Stochastic Calculations 1-gen-2008 COCCIA, EMANUELE +
Chemical solutions in a quantum solvent: anionic "electrolytes" in 4He nanodroplets 1-gen-2008 COCCIA, EMANUELE +
Nanoscopic phase changes in doped 4He droplets 1-gen-2008 COCCIA E +
Quantum structuring of4He atoms around ionic dopants: Energetics of Li+, Na+ and K+ from stochastic calculations 1-gen-2008 Coccia E +
ANIONIC MICROSOLVATION IN HELIUM DROPLETS: (OH-)(HE)N FROM CLASSICAL AND QUANTUM STRUCTURE CALCULATIONS 1-gen-2008 COCCIA, EMANUELE +
Structuring a quantum solvent around a weakly bound dopant: the He-Cs2 (3Σu) complex 1-gen-2009 Coccia E +
Spin-driven structural effects in alkali doped He-4 clusters from quantum calculations 1-gen-2009 COCCIA, EMANUELE +
Size dependent solvatation of p-H2 in 4He nanodroplets: A Quantum Monte Carlo Analysis 1-gen-2009 COCCIA, EMANUELE +
Binding He atoms to hydrogen moieties: quantum features from ultraweak interactions 1-gen-2010 E. COCCIA +
Attachment Energetics of Quantum Dopants in a Weakly Interacting Quantum Solvent: 1H, 2H and 3H in Small 4He Clusters 1-gen-2010 E. COCCIA +
1952, Molecular Electrical Properties from Quantum Monte Carlo Calculations: Application to Ethyne 1-gen-2012 Coccia E +
Quantum Monte Carlo study of the Retinal Minimal Model C5H6NH+2 1-gen-2012 Coccia E +
Protein field effect on the dark state of 11-cis Retinal in Rhodopsin by Quantum Monte Carlo / Molecular Mechanics 1-gen-2013 Coccia E +
Ground state structures and electronic excitations of biological chromophores at Quantum Monte Carlo / Many Body Green's Function Theory level 1-gen-2014 Coccia E +
Ab initio geometry and bright excitation of carotenoids: Quantum Monte Carlo and Many Body Green’s Function Theory calculations on peridinin 1-gen-2014 Coccia E +
Static and dynamical correlation in diradical molecules by Quantum Monte Carlo using the Jastrow Antisymmetrized Geminal Power ansatz 1-gen-2014 Coccia E +
Mostrati risultati da 1 a 20 di 55
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