Search research articles
Contact Us
Filters
Showing results (1-10 of 44) with videos related to
Page
of 5
Sort By:
Journal of Applied Crystallography
|
August 6, 2025
Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange-correlation functionals based on X-ray data
Alessandro Genoni, Maurizio Sironi
The Journal of Physical Chemistry. B
|
May 19, 2007
Accurate description of nitrogenous base flexibility in classical molecular dynamics simulations of nucleotides bound to proteins
Arianna Fornili, Maurizio Sironi, Massimo Degano
Journal of Molecular Graphics & Modelling
|
August 2, 2020
Modelling of short synthetic antifreeze peptides: Insights into ice-pinning mechanism
Enrico Gandini, Maurizio Sironi, Stefano Pieraccini
Physical Chemistry Chemical Physics : PCCP
|
October 28, 2010
Vinblastine perturbation of tubulin protofilament structure: a computational insight
Stefano Rendine, Stefano Pieraccini, Maurizio Sironi
Journal of Computational Chemistry
|
April 7, 2005
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals
Alessandro Genoni, Arianna Fornili, Maurizio Sironi
The Journal of Chemical Physics
|
August 14, 2008
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction
Alessandro Genoni, Kenneth M Merz, Maurizio Sironi
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 11, 2018
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data
Alessandro Genoni, Davide Franchini, Stefano Pieraccini, et al.
Journal of Computational Chemistry
|
December 17, 2013
Halogen bonds with benzene: an assessment of DFT functionals
Alessandra Forni, Stefano Pieraccini, Stefano Rendine, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2011
Halogen bonding in ligand-receptor systems in the framework of classical force fields
Stefano Rendine, Stefano Pieraccini, Alessandra Forni, et al.
Journal of Molecular Graphics & Modelling
|
October 23, 2012
Solvent effect on halogen bonding: the case of the I⋯O interaction
Alessandra Forni, Stefano Rendine, Stefano Pieraccini, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 44) with videos related to
Sort By:
Page
of 5
Journal of Applied Crystallography
|
August 6, 2025
Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange-correlation functionals based on X-ray data
Alessandro Genoni, Maurizio Sironi
The Journal of Physical Chemistry. B
|
May 19, 2007
Accurate description of nitrogenous base flexibility in classical molecular dynamics simulations of nucleotides bound to proteins
Arianna Fornili, Maurizio Sironi, Massimo Degano
Journal of Molecular Graphics & Modelling
|
August 2, 2020
Modelling of short synthetic antifreeze peptides: Insights into ice-pinning mechanism
Enrico Gandini, Maurizio Sironi, Stefano Pieraccini
Physical Chemistry Chemical Physics : PCCP
|
October 28, 2010
Vinblastine perturbation of tubulin protofilament structure: a computational insight
Stefano Rendine, Stefano Pieraccini, Maurizio Sironi
Journal of Computational Chemistry
|
April 7, 2005
Optimal virtual orbitals to relax wave functions built up with transferred extremely localized molecular orbitals
Alessandro Genoni, Arianna Fornili, Maurizio Sironi
The Journal of Chemical Physics
|
August 14, 2008
A Hylleraas functional based perturbative technique to relax the extremely localized molecular orbital wavefunction
Alessandro Genoni, Kenneth M Merz, Maurizio Sironi
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 11, 2018
X-ray Constrained Spin-Coupled Wavefunction: a New Tool to Extract Chemical Information from X-ray Diffraction Data
Alessandro Genoni, Davide Franchini, Stefano Pieraccini, et al.
Journal of Computational Chemistry
|
December 17, 2013
Halogen bonds with benzene: an assessment of DFT functionals
Alessandra Forni, Stefano Pieraccini, Stefano Rendine, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 4, 2011
Halogen bonding in ligand-receptor systems in the framework of classical force fields
Stefano Rendine, Stefano Pieraccini, Alessandra Forni, et al.
Journal of Molecular Graphics & Modelling
|
October 23, 2012
Solvent effect on halogen bonding: the case of the I⋯O interaction
Alessandra Forni, Stefano Rendine, Stefano Pieraccini, et al.
Page
of 5