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Journal of Chemical Theory and Computation
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July 27, 2019
General Linear Scaling Implementation of Polarizable Embedding Schemes
Filippo Lipparini
The Journal of Chemical Physics
|
May 2, 2016
Perspective: Polarizable continuum models for quantum-mechanical descriptions
Filippo Lipparini, Benedetta Mennucci
The Journal of Chemical Physics
|
October 16, 2007
Embedding effects on charge-transport parameters in molecular organic materials
Filippo Lipparini, Benedetta Mennucci
Journal of Chemical Theory and Computation
|
November 25, 2015
Polarizable Force Fields and Polarizable Continuum Model: A Fluctuating Charges/PCM Approach. 1. Theory and Implementation
Filippo Lipparini, Vincenzo Barone
The Journal of Chemical Physics
|
December 15, 2020
General formulation of polarizable embedding models and of their coupling
Michele Nottoli, Filippo Lipparini
Journal of Chemical Theory and Computation
|
July 28, 2016
Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac-Coulomb Hamiltonian
Filippo Lipparini, Jürgen Gauss
Journal of Chemical Theory and Computation
|
December 24, 2021
Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding
Peter Reinholdt, Jacob Kongsted, Filippo Lipparini
The Journal of Physical Chemistry. B
|
September 9, 2020
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant Expansion
Lorenzo Cupellini, Filippo Lipparini, Jianshu Cao
The Journal of Chemical Physics
|
June 28, 2013
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: general three-layer model, computational implementation and pilot applications
Filippo Lipparini, Chiara Cappelli, Vincenzo Barone
Journal of Chemical Theory and Computation
|
November 26, 2015
Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical Hamiltonian
Filippo Lipparini, Chiara Cappelli, Vincenzo Barone
Page
of 11
Search research articles
Search
Showing results (1-10 of 105) with videos related to
Sort By:
Page
of 11
Journal of Chemical Theory and Computation
|
July 27, 2019
General Linear Scaling Implementation of Polarizable Embedding Schemes
Filippo Lipparini
The Journal of Chemical Physics
|
May 2, 2016
Perspective: Polarizable continuum models for quantum-mechanical descriptions
Filippo Lipparini, Benedetta Mennucci
The Journal of Chemical Physics
|
October 16, 2007
Embedding effects on charge-transport parameters in molecular organic materials
Filippo Lipparini, Benedetta Mennucci
Journal of Chemical Theory and Computation
|
November 25, 2015
Polarizable Force Fields and Polarizable Continuum Model: A Fluctuating Charges/PCM Approach. 1. Theory and Implementation
Filippo Lipparini, Vincenzo Barone
The Journal of Chemical Physics
|
December 15, 2020
General formulation of polarizable embedding models and of their coupling
Michele Nottoli, Filippo Lipparini
Journal of Chemical Theory and Computation
|
July 28, 2016
Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac-Coulomb Hamiltonian
Filippo Lipparini, Jürgen Gauss
Journal of Chemical Theory and Computation
|
December 24, 2021
Fast Approximate but Accurate QM/MM Interactions for Polarizable Embedding
Peter Reinholdt, Jacob Kongsted, Filippo Lipparini
The Journal of Physical Chemistry. B
|
September 9, 2020
Absorption and Circular Dichroism Spectra of Molecular Aggregates With the Full Cumulant Expansion
Lorenzo Cupellini, Filippo Lipparini, Jianshu Cao
The Journal of Chemical Physics
|
June 28, 2013
A gauge invariant multiscale approach to magnetic spectroscopies in condensed phase: general three-layer model, computational implementation and pilot applications
Filippo Lipparini, Chiara Cappelli, Vincenzo Barone
Journal of Chemical Theory and Computation
|
November 26, 2015
Linear Response Theory and Electronic Transition Energies for a Fully Polarizable QM/Classical Hamiltonian
Filippo Lipparini, Chiara Cappelli, Vincenzo Barone
Page
of 11