关注
leonardo spanu
leonardo spanu
Shell Technology Center Houston
在 shell.com 的电子邮件经过验证
标题
引用次数
引用次数
年份
Nature and strength of interlayer binding in graphite
L Spanu, S Sorella, G Galli
Physical review letters 103 (19), 196401, 2009
3162009
Dielectric properties of water under extreme conditions and transport of carbonates in the deep Earth
D Pan, L Spanu, B Harrison, DA Sverjensky, G Galli
Proceedings of the National Academy of Sciences 110 (17), 6646-6650, 2013
1882013
Stability of hydrocarbons at deep Earth pressures and temperatures
L Spanu, D Donadio, D Hohl, E Schwegler, G Galli
Proceedings of the National Academy of Sciences 108 (17), 6843-6846, 2011
982011
Raman spectra of liquid water from ab initio molecular dynamics: vibrational signatures of charge fluctuations in the hydrogen bond network
Q Wan, L Spanu, GA Galli, F Gygi
Journal of Chemical Theory and Computation 9 (9), 4124-4130, 2013
962013
Magnetism and superconductivity in the tt'-J model
L Spanu, M Lugas, F Becca, S Sorella
Phys. Rev. B 77, 024510, 2008
692008
NON-ABELIAN VORTEX AND CONFINEMENT
K KONISHI, L SPANU
International journal of modern physics: Particles and fields, gravitation …, 2003
592003
A Perspective on the Electrochemical Oxidation of Methane to Methanol in Membrane Electrode Assemblies
JC Fornaciari, D Primc, K Kawashima, BR Wygant, S Verma, L Spanu, ...
ACS Energy Letters 5 (9), 2954-2963, 2020
582020
Dissecting the hydrogen bond: a Quantum Monte Carlo approach
F Sterpone, L Spanu, L Ferraro, S Sorella, L Guidoni
Journal of Chemical Theory and Computation 4 (9), 1428-1434, 2008
572008
Entropy of Liquid Water from Ab Initio Molecular Dynamics
C Zhang, L Spanu, G Galli
The Journal of Physical Chemistry B 115 (48), 14190-14195, 2011
512011
Finite compressibility in the low-doping region of the two-dimensional model
M Lugas, L Spanu, F Becca, S Sorella
Physical Review B 74 (16), 165122, 2006
452006
Finite compressibility in the low-doping region of the two-dimensional t − J model
M Lugas, L Spanu, F Becca, S Sorella
Physical Review B 74 (16), 165122, 0
45*
Ab initio calculations for the β-tin diamond transition in silicon: Comparing theories with experiments
S Sorella, M Casula, L Spanu, A Dal Corso
Physical Review B 83 (7), 075119, 2011
412011
Ab initio investigation of the melting line of nitrogen at high pressure
D Donadio, L Spanu, I Duchemin, F Gygi, G Galli
Physical Review B 82 (2), 020102, 2010
402010
Effect of phase and size on surface sites in cobalt nanoparticles
R Agrawal, P Phatak, L Spanu
Catalysis Today 312, 174-180, 2018
302018
Solvation Properties of Microhydrated Sulfate Anion Clusters: Insights From ab initio Calculations
Q Wan, L Spanu, GA Galli
The Journal of Physical Chemistry B, 2012
272012
Electronic Structure of Aqueous Sulfuric Acid from First-Principles Simulations with Hybrid Functionals
Q Wan, L Spanu, F Gygi, G Galli
The Journal of Physical Chemistry Letters 5 (15), 2562-2567, 2014
262014
Resonating-valence-bond ground state of lithium nanoclusters
D Nissenbaum, L Spanu, C Attaccalite, B Barbiellini, A Bansil
American Physical Society, 2009
262009
Structures and vibrational frequencies of CO adsorbed on transition metals from calculations using the vdW-DF2 functional
X Ma, A Genest, L Spanu, N Rösch
Computational and Theoretical Chemistry 1069, 147-154, 2015
212015
Reversing Size-Dependent Trends in the Oxidation of Copper Clusters through Support Effects [Controlling the Degree of Oxidation of Copper Clusters Through Size and Support …
N Mammen, L Spanu, EC Tyo, B Yang, A Halder, S Seifert, MJ Pellin, ...
European Journal of Inorganic Chemistry 2018 (1), 2017
202017
Theoretical investigation of methane under pressure
L Spanu, D Donadio, D Hohl, G Galli
The Journal of chemical physics 130 (16), 164520, 2009
192009
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