引用次数
引用: 4,284
H-指数: 38
I10-指数 : 85
出版物: 165
Spectral TDDFT
ENERITZ MUGURUZA GONZALEZ , LEONARDO GUIDONI , CARLA MOLTENI
Theoretical Studies on the KcsA Potassium Channel
Paolo Carloni , Leonardo Guidoni , Vincent Torre
2000
Structure and stability of copper-prion protein
Ursula Rothlisberger , Joost H. B. VandeVondele , Leonardo Guidoni , Alesandro Laio
Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004
2004
QM/MM Car-Parrinello molecular dynamics study of selectivity in a potassium channel
Ursula Rothlisberger , Paolo Carloni , Leonardo Guidoni , Denis Bucher
Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004
3
2004
Dissecting the hydrogen bond: a Quantum Monte Carlo approach
Leonardo Spanu , Leonardo Guidoni , Fabio Sterpone , Sandro Sorella
arXiv: Chemical Physics
55
2008
Lattice Regularized Diffusion Monte Carlo Simulations of iron dimer
Leonardo Guidoni , Sandro Sorella , Michele Casula
APS
2006
Molecular properties by Quantum Monte Carlo: an investigation on the role of the wave function ansatz and the basis set in the water molecule
Leonardo Guidoni , Andrea Zen , Sandro Sorella , Ye Luo
Journal of Chemical Theory and Computation 9 ( 10) 4332 -4350
42
2013
Optimized Structure and Vibrational Properties by Error Affected Potential Energy Surfaces
Leonardo Guidoni , Andrea Zen , Delyan Zhelyazov
Journal of Chemical Theory and Computation 8 ( 11) 4204 -4215
22
2012
Structural basis of ubiquitination mediated by protein splicing in early Eukarya.
Andrea Ilari , Leonardo Guidoni , Marco Crescenzi , Annarita Fiorillo
Biochimica et Biophysica Acta 1865 ( 5) 129844
2021
Improved Accuracy on Noisy Devices by Nonunitary Variational Quantum Eigensolver for Chemistry Applications.
Panagiotis Kl Barkoutsos , Guglielmo Mazzola , Pauline J Ollitrault , Francesco Benfenati
Journal of Chemical Theory and Computation
2021
Polarization effects and charge transfer in the KcsA potassium channel
Michael L. Klein , Denis Bucher , Simone Raugei , Leonardo Guidoni
Biophysical Chemistry 124 ( 3) 292 -301
75
2006
Coordination Numbers of K+ and Na+ Ions Inside the Selectivity Filter of the KcsA Potassium Channel: Insights from First Principles Molecular Dynamics
Denis Bucher , Leonardo Guidoni , Paolo Carloni , Ursula Rothlisberger
Biophysical Journal 98 ( 10)
82
2010
On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II
Matteo Capone , Daniele Narzi , Aliya Tychengulova , Leonardo Guidoni
Physiologia Plantarum 166 ( 1) 33 -43
3
2019
Hydration structure of the quaternary ammonium cations.
Wojtek Iwo Babiaczyk , Sara Bonella , Leonardo Guidoni , Giovanni Ciccotti
Journal of Physical Chemistry B 114 ( 46) 15018 -15028
29
2010
Extended wavefunctions for the Variational Quantum Eigensolver
Francesco Benfenati , Leonardo Guidoni , Guglielmo Mazzola , Panagiotis Barkoutsos
Quantum Information and Measurement (QIM) V: Quantum Technologies (2019), paper F5A.36
1
2019
Valence-bond states in dynamical Jahn-Teller molecular systems
Giuseppe Santoro , Leonardo Guidoni , Alberto Parola , Erio Tosatti
Physical Review B 55 ( 24) 16168 -16175
13
1997
Magnetic interactions in the catalyst used by nature to split water: a DFT+U multiscale study on the Mn 4 CaO 5 core in photosystem II
Daniele Bovi , Daniele Narzi , Leonardo Guidoni
New Journal of Physics 16 ( 1) 015020
20
2014
Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition
Matteo Capone , Daniele Narzi , Daniele Bovi , Leonardo Guidoni
Journal of Physical Chemistry Letters 7 ( 3) 592 -596
47
2016
Molecular dynamics simulation unveils the conformational flexibility of the interdomain linker in the bacterial transcriptional regulator GabR from Bacillus subtilis bound to pyridoxal 5'-phosphate.
Teresa Milano , Adnan Gulzar , Daniele Narzi , Leonardo Guidoni
PLOS ONE 12 ( 12)
7
2017
Many-body study of the photoisomerization of the minimal model of the retinal protonated Schiff base
Adriano Mosca Conte , Leonardo Guidoni , Rodolfo Del Sole , Olivia Pulci
Chemical Physics Letters 515 ( 4) 290 -295
13
2011