Arturo Robertazzi
Arturo Robertazzi
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Hybrid density functional theory for π‐stacking interactions: Application to benzenes, pyridines, and DNA bases
MP Waller, A Robertazzi, JA Platts, DE Hibbs, PA Williams
Journal of computational chemistry 27 (4), 491-504, 2006
Oxygen-evolving Mn cluster in photosystem II: the protonation pattern and oxidation state in the high-resolution crystal structure
A Galstyan, A Robertazzi, EW Knapp
Journal of the American Chemical Society 134 (17), 7442-7449, 2012
Recent advances in anion–π interactions
A Robertazzi, F Krull, EW Knapp, P Gamez
CrystEngComm 13 (10), 3293-3300, 2011
Copper− 1, 10-phenanthroline complexes binding to DNA: structural predictions from molecular simulations
A Robertazzi, AV Vargiu, A Magistrato, P Ruggerone, P Carloni, ...
The Journal of Physical Chemistry B 113 (31), 10881-10890, 2009
The hydrolysis mechanism of the anticancer ruthenium drugs NAMI-A and ICR investigated by DFT− PCM calculations
AV Vargiu, A Robertazzi, A Magistrato, P Ruggerone, P Carloni
The Journal of Physical Chemistry B 112 (14), 4401-4409, 2008
Hydrogen bonding, solvation, and hydrolysis of cisplatin: A theoretical study
A Robertazzi, JA Platts
Journal of Computational Chemistry 25 (8), 1060-1067, 2004
A QM/MM study of cisplatin–DNA oligonucleotides: from simple models to realistic systems
A Robertazzi, JA Platts
Chemistry–A European Journal 12 (22), 5747-5756, 2006
Magnetic coupling between copper (II) ions mediated by hydrogen-bonded (neutral) water molecules
J Tang, J Sánchez Costa, A Golobic, B Kozlevcar, A Robertazzi, ...
Inorganic chemistry 48 (12), 5473-5479, 2009
Experimental Observation of Supramolecular Carbonyl-π/π-π/π-carbonyl and Carbonyl-π/π-π/π-anion Assemblies Supported by Theoretical Studies
SR Choudhury, P Gamez, A Robertazzi, CY Chen, HM Lee, ...
Crystal Growth and Design 8 (10), 3773-3784, 2008
Hydrogen bonding and covalent effects in binding of cisplatin to purine bases: ab initio and atoms in molecules studies
A Robertazzi, JA Platts
Inorganic chemistry 44 (2), 267-274, 2005
Nitrogen fixation by a molybdenum catalyst mimicking the function of the nitrogenase enzyme: A critical evaluation of DFT and solvent effects
A Magistrato, A Robertazzi, P Carloni
Journal of Chemical Theory and Computation 3 (5), 1708-1720, 2007
Density functional theory studies on copper phenanthroline complexes
A Robertazzi, A Magistrato, P de Hoog, P Carloni, J Reedijk
Inorganic chemistry 46 (15), 5873-5881, 2007
Gas-phase DNA oligonucleotide structures. A QM/MM and atoms in molecules study
A Robertazzi, JA Platts
The Journal of Physical Chemistry A 110 (11), 3992-4000, 2006
Concurrent anion⋯ π interactions between a perchlorate ion and two π-acidic aromatic rings, namely pentafluorophenol and 1, 3, 5-triazine
RJ Götz, A Robertazzi, I Mutikainen, U Turpeinen, P Gamez, J Reedijk
Chemical communications, 3384-3386, 2008
Binding of transition metal complexes to guanine and guanine–cytosine: hydrogen bonding and covalent effects
A Robertazzi, JA Platts
JBIC Journal of Biological Inorganic Chemistry 10, 854-866, 2005
Supramolecular lone pair− π/π− π/π− anion assembly in a Mg (II)− malonate− 2-aminopyridine− nitrate ternary system
SR Choudhury, B Dey, S Das, P Gamez, A Robertazzi, KT Chan, HM Lee, ...
The Journal of Physical Chemistry A 113 (8), 1623-1627, 2009
Breathing motions of a respiratory protein revealed by molecular dynamics simulations
MA Scorciapino, A Robertazzi, M Casu, P Ruggerone, M Ceccarelli
Journal of the American Chemical Society 131 (33), 11825-11832, 2009
Reprint of PSII Manganese Cluster: Protonation of W2, O5, O4 and His337 in the S1 state explored by combined quantum chemical and electrostatic energy computations
A Robertazzi, A Galstyan, EW Knapp
Biochimica et Biophysica Acta (BBA)-Bioenergetics 1837 (9), 1389-1394, 2014
Heme proteins: the role of solvent in the dynamics of gates and portals
MA Scorciapino, A Robertazzi, M Casu, P Ruggerone, M Ceccarelli
Journal of the American Chemical Society 132 (14), 5156-5163, 2010
Can oxidation states and the protonation pattern of oxomanganese complexes be recognized from their structures?
A Robertazzi, A Galstyan, EW Knapp
CrystEngComm 13 (21), 6369-6372, 2011
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