Professor Paolo Raiteri, PhD
机构: Curtin University
每年引用次数
引用次数
引用: 9,796
H-指数: 44
I10-指数 : 94
出版物: 123
PLUMED: a portable plugin for free-energy calculations with molecular dynamics
Massimiliano Bonomi , Davide Branduardi , Giovanni Bussi , Carlo Camilloni
Computer Physics Communications 180 ( 10) 1961 -1972
1,492
2009
Stable prenucleation mineral clusters are liquid-like ionic polymers
Raffaella Demichelis , Paolo Raiteri , Julian D. Gale , David Quigley
Nature Communications 2 ( 1) 590 -590
477
2011
Synthesis, structural, and photophysical investigation of diimine triscarbonyl Re(I) tetrazolato complexes.
Melissa V Werrett , Daniel Chartrand , Julian D Gale , Garry S Hanan
Inorganic Chemistry 50 ( 4) 1229 -1241
63
2011
Investigating Intracellular Localisation and Cytotoxicity Trends for Neutral and Cationic Iridium Tetrazolato Complexes in Live Cells.
Chiara Caporale , Christie A. Bader , Alexandra Sorvina , Karen D. M. MaGee
Chemistry: A European Journal 23 ( 62) 15666 -15679
35
2017
On classical and non-classical views on nucleation
Denis Gebauer , Paolo Raiteri , Julian D. Gale , Helmut Cölfen
American Journal of Science 318 ( 9) 969 -988
90
2018
Anhydrous Calcium Oxalate Polymorphism: A Combined Computational and Synchrotron X-ray Diffraction Study
Wen Zhao , Neeraj Sharma , Franca Jones , Paolo Raiteri
Crystal Growth & Design 16 ( 10) 5954 -5965
5
2016
Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface
Marco De La Pierre , Paolo Raiteri , Julian D. Gale
Crystal Growth & Design 16 ( 10) 5907 -5914
21
2016
A Computational Investigation into the Suitability of Purely Siliceous Zeolites as Reverse Osmosis Membranes
Zak E. Hughes , Louise A. Carrington , Paolo Raiteri , Julian D. Gale
Journal of Physical Chemistry C 115 ( 10) 4063 -4075
31
2011
The Use of Anisotropic Potentials in Modeling Water and Free Energies of Hydration
Panagiotis G. Karamertzanis , Paolo Raiteri , Amparo Galindo
Journal of Chemical Theory and Computation 6 ( 5) 1590 -1607
20
2010
Calcite (104) Surface-Electrolyte Structure: A 3D Comparison of Surface X-ray Diffraction and Simulations
Sander J. T. Brugman , Paolo Raiteri , Paolo Accordini , Frank Megens
Journal of Physical Chemistry C 124 ( 34) 18564 -18575
18
2020
Why Are Some Crystals Straight
Chao Li , Alexander G. Shtukenberg , Leslie Vogt-Maranto , Efi Efrati
Journal of Physical Chemistry C 124 ( 28) 15616 -15624
1
2020
Superionic conduction in substoichiometric LiAl alloy: an ab initio study.
Clotilde S. Cucinotta , Giacomo Miceli , Paolo Raiteri , Matthias Krack
Physical Review Letters 103 ( 12) 125901
21
2009
A Supramolecular Ice Growth Inhibitor
Ran Drori , Chao Li , Chunhua Hu , Paolo Raiteri
Journal of the American Chemical Society 138 ( 40) 13396 -13401
83
2016
Probing the Multiple Structures of Vaterite through Combined Computational and Experimental Raman Spectroscopy
Marco De La Pierre , Raffaella Demichelis , Ursula Wehrmeister , Dorrit E. Jacob
Journal of Physical Chemistry C 118 ( 47) 27493 -27501
11
2014
Examining the Accuracy of Density Functional Theory for Predicting the Thermodynamics of Water Incorporation into Minerals: The Hydrates of Calcium Carbonate
Raffaella Demichelis , Paolo Raiteri , Julian D. Gale , Roberto Dovesi
Journal of Physical Chemistry C 117 ( 34) 17814 -17823
35
2013
Simulation of structural phase transitions by metadynamics
Roman Martoňák , Alessandro Laio , Marco Bernasconi , Chiara Ceriani
Zeitschrift Fur Kristallographie 220 489 -498
90
2005
Atomistic Simulation of Atomic Force Microscopy Imaging of Hydration Layers on Calcite, Dolomite, and Magnesite Surfaces
Bernhard Reischl , Paolo Raiteri , Julian D. Gale , Andrew L. Rohl
Journal of Physical Chemistry C 123 ( 24) 14985 -14992
31
2019
Simulation of Crystallization of Biominerals
Raffaella Demichelis , Alicia Schuitemaker , Natalya A. Garcia , Katarzyna B. Koziara
Annual Review of Materials Research 48 ( 1) 327 -352
7
2018
Uncovering the Atomistic Mechanism for Calcite Step Growth
Marco De La Pierre , Paolo Raiteri , Andrew G. Stack , Julian D. Gale
Angewandte Chemie 56 ( 29) 8464 -8467
40
2017
Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite
Julie Aufort , Alicia Schuitemaker , Rebecca Green , Raffaella Demichelis
Crystal Growth \& Design 22 ( 2) 1445 -1458
3
2022