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Journal of Chemical Theory and Computation|November 19, 2015
Quantifying Environmental Effects on the Decay of Hole Transfer Couplings in BiosystemsPablo Ramos, Michele PavanelloThe Journal of Chemical Physics|June 24, 2016
Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radicalAlessandro Genova, Davide Ceresoli, Michele PavanelloThe Journal of Chemical Physics|August 3, 2014
FDE-vdW: A van der Waals inclusive subsystem density-functional theoryRuslan Kevorkyants, Henk Eshuis, Michele PavanelloThe Journal of Chemical Physics|November 10, 2014
Periodic subsystem density-functional theoryAlessandro Genova, Davide Ceresoli, Michele PavanelloThe Journal of Chemical Physics|May 23, 2012
Spin densities from subsystem density-functional theory: assessment and application to a photosynthetic reaction center complex modelAlisa Solovyeva, Michele Pavanello, Johannes NeugebauerThe Journal of Chemical Physics|May 3, 2014
Describing long-range charge-separation processes with subsystem density-functional theoryAlisa Solovyeva, Michele Pavanello, Johannes NeugebauerThe Journal of Chemical Physics|March 3, 2005
Quantum-mechanical studies of NMR properties of solutes in liquid crystals: a new strategy to determine orientational order parametersMichele Pavanello, Benedetta Mennucci, Alberta FerrariniThe Journal of Physical Chemistry. B|April 8, 2015
Performance of Frozen Density Embedding for Modeling Hole Transfer ReactionsPablo Ramos, Markos Papadakis, Michele PavanelloThe Journal of Chemical Physics|April 24, 2015
Subsystem real-time time dependent density functional theoryAlisa Krishtal, Davide Ceresoli, Michele PavanelloThe Journal of Chemical Physics|January 1, 2018
Accurate and balanced anisotropic Gaussian type orbital basis sets for atoms in strong magnetic fieldsWuming Zhu, S B TrickeyPageof 65