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Proceedings of the National Academy of Sciences of the United States of America
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June 4, 2014
Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II
Daniele Narzi, Daniele Bovi, Leonardo Guidoni
The Journal of Physical Chemistry. A
|
September 26, 2012
Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation
Luana Tanzi, Fabio Ramondo, Leonardo Guidoni
Journal of Chemical Theory and Computation
|
April 24, 2024
Natural Orbitals and Sparsity of Quantum Mutual Information
Leonardo Ratini, Chiara Capecci, Leonardo Guidoni
Biochemistry
|
July 20, 2021
Mechanism of Oxygen Evolution and Mn<sub>4</sub>CaO<sub>5</sub> Cluster Restoration in the Natural Water-Oxidizing Catalyst
Matteo Capone, Daniele Narzi, Leonardo Guidoni
Inorganic Chemistry
|
April 14, 2010
Hydration properties of the bromide aqua ion: the interplay of first principle and classical molecular dynamics, and X-ray absorption spectroscopy
Paola D'Angelo, Valentina Migliorati, Leonardo Guidoni
Angewandte Chemie (International Ed. in English)
|
October 12, 2013
The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state
Daniele Bovi, Daniele Narzi, Leonardo Guidoni
Journal of Chemical Theory and Computation
|
October 5, 2013
Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces
Andrea Zen, Delyan Zhelyazov, Leonardo Guidoni
Physical Chemistry Chemical Physics : PCCP
|
July 16, 2020
Spin-symmetrised structures and vibrational frequencies of iron-sulfur clusters
Francesco Cappelluti, Luigi Bencivenni, Leonardo Guidoni
The Journal of Chemical Physics
|
February 12, 2014
Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities
Daniele Varsano, Matteo Barborini, Leonardo Guidoni
Journal of Chemical Theory and Computation
|
July 29, 2017
Theoretical S<sub>1</sub> ← S<sub>0</sub> Absorption Energies of the Anionic Forms of Oxyluciferin by Variational Monte Carlo and Many-Body Green's Function Theory
Emanuele Coccia, Daniele Varsano, Leonardo Guidoni
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Search research articles
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Showing results (11-20 of 94) with videos related to
Sort By:
Page
of 10
Proceedings of the National Academy of Sciences of the United States of America
|
June 4, 2014
Pathway for Mn-cluster oxidation by tyrosine-Z in the S2 state of photosystem II
Daniele Narzi, Daniele Bovi, Leonardo Guidoni
The Journal of Physical Chemistry. A
|
September 26, 2012
Vibrational spectra of water solutions of azoles from QM/MM calculations: effects of solvation
Luana Tanzi, Fabio Ramondo, Leonardo Guidoni
Journal of Chemical Theory and Computation
|
April 24, 2024
Natural Orbitals and Sparsity of Quantum Mutual Information
Leonardo Ratini, Chiara Capecci, Leonardo Guidoni
Biochemistry
|
July 20, 2021
Mechanism of Oxygen Evolution and Mn<sub>4</sub>CaO<sub>5</sub> Cluster Restoration in the Natural Water-Oxidizing Catalyst
Matteo Capone, Daniele Narzi, Leonardo Guidoni
Inorganic Chemistry
|
April 14, 2010
Hydration properties of the bromide aqua ion: the interplay of first principle and classical molecular dynamics, and X-ray absorption spectroscopy
Paola D'Angelo, Valentina Migliorati, Leonardo Guidoni
Angewandte Chemie (International Ed. in English)
|
October 12, 2013
The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state
Daniele Bovi, Daniele Narzi, Leonardo Guidoni
Journal of Chemical Theory and Computation
|
October 5, 2013
Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces
Andrea Zen, Delyan Zhelyazov, Leonardo Guidoni
Physical Chemistry Chemical Physics : PCCP
|
July 16, 2020
Spin-symmetrised structures and vibrational frequencies of iron-sulfur clusters
Francesco Cappelluti, Luigi Bencivenni, Leonardo Guidoni
The Journal of Chemical Physics
|
February 12, 2014
Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities
Daniele Varsano, Matteo Barborini, Leonardo Guidoni
Journal of Chemical Theory and Computation
|
July 29, 2017
Theoretical S<sub>1</sub> ← S<sub>0</sub> Absorption Energies of the Anionic Forms of Oxyluciferin by Variational Monte Carlo and Many-Body Green's Function Theory
Emanuele Coccia, Daniele Varsano, Leonardo Guidoni
Page
of 10