PubRank

Angelos Michaelides

Author PubWeight™ 36.18‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Chemical accuracy for the van der Waals density functional. J Phys Condens Matter 2009 2.47
2 Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory. J Chem Phys 2012 1.31
3 A molecular perspective of water at metal interfaces. Nat Mater 2012 1.23
4 A one-dimensional ice structure built from pentagons. Nat Mater 2009 1.20
5 Improved description of soft layered materials with van der Waals density functional theory. J Phys Condens Matter 2012 1.16
6 Friction of water on graphene and hexagonal boron nitride from ab initio methods: very different slippage despite very similar interface structures. Nano Lett 2014 1.00
7 The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals. Faraday Discuss 2013 0.98
8 Hydrogen bonds and van der waals forces in ice at ambient and high pressures. Phys Rev Lett 2011 0.97
9 Quantum nature of the proton in water-hydroxyl overlayers on metal surfaces. Phys Rev Lett 2010 0.93
10 c(2×2) water-hydroxyl layer on Cu(110): a wetting layer stabilized by Bjerrum defects. Phys Rev Lett 2011 0.92
11 To wet or not to wet? Dispersion forces tip the balance for water ice on metals. Phys Rev Lett 2011 0.89
12 Surface energy and surface proton order of the ice Ih basal and prism surfaces. J Phys Condens Matter 2010 0.88
13 Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations. J Chem Phys 2011 0.88
14 Surface energy and surface proton order of ice Ih. Phys Rev Lett 2008 0.88
15 On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions. J Chem Phys 2008 0.87
16 On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures. J Chem Phys 2013 0.87
17 Quantum simulation of low-temperature metallic liquid hydrogen. Nat Commun 2013 0.87
18 Density oscillations in a nanoscale water film on salt: insight from ab initio molecular dynamics. J Am Chem Soc 2008 0.87
19 Proton ordering in cubic ice and hexagonal ice; a potential new ice phase--XIc. Phys Chem Chem Phys 2011 0.86
20 The role of van der Waals forces in water adsorption on metals. J Chem Phys 2013 0.86
21 On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit. J Chem Phys 2007 0.86
22 Melting the ice: on the relation between melting temperature and size for nanoscale ice crystals. ACS Nano 2011 0.86
23 Manipulation and control of hydrogen bond dynamics in absorbed ice nanoclusters. Phys Rev Lett 2008 0.83
24 Cooperative interplay of van der Waals forces and quantum nuclear effects on adsorption: H at graphene and at coronene. ACS Nano 2014 0.83
25 Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatch. Phys Chem Chem Phys 2012 0.82
26 Interfacial water: a first principles molecular dynamics study of a nanoscale water film on salt. J Chem Phys 2009 0.81
27 Initial stages of salt crystal dissolution determined with ab initio molecular dynamics. Phys Chem Chem Phys 2011 0.81
28 Local investigation of femtosecond laser induced dynamics of water nanoclusters on Cu(111). Phys Rev Lett 2009 0.80
29 Trends in water monomer adsorption and dissociation on flat insulating surfaces. Phys Chem Chem Phys 2011 0.80
30 Theory of gold on ceria. Phys Chem Chem Phys 2010 0.78
31 Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces. J Chem Phys 2009 0.77
32 Direct assessment of quantum nuclear effects on hydrogen bond strength by constrained-centroid ab initio path integral molecular dynamics. J Chem Phys 2010 0.77
33 Structure of gold atoms on stoichiometric and defective ceria surfaces. J Chem Phys 2008 0.77
34 Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformations. J Chem Phys 2009 0.77
35 Positive charge States and possible polymorphism of gold nanoclusters on reduced ceria. J Am Chem Soc 2010 0.77
36 Proton transfer in adsorbed water dimers. Phys Chem Chem Phys 2010 0.77
37 Nature of proton transport in a water-filled carbon nanotube and in liquid water. Phys Chem Chem Phys 2013 0.77
38 The water-benzene interaction: insight from electronic structure theories. J Chem Phys 2009 0.76
39 Understanding corrosion inhibition with van der Waals DFT methods: the case of benzotriazole. Faraday Discuss 2015 0.76
40 Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures. J Phys Condens Matter 2013 0.76
41 Significant quantum effects in hydrogen activation. ACS Nano 2014 0.75
42 Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs. J Phys Chem Lett 2016 0.75
43 A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes. J Phys Condens Matter 2010 0.75
44 Corrosion control: general discussion. Faraday Discuss 2015 0.75
45 Hydrogen-bonded assembly of methanol on Cu(111). Phys Chem Chem Phys 2012 0.75
46 Hydrogenation Facilitates Proton Transfer Through Two-Dimensional Honeycomb Crystals. J Phys Chem Lett 2017 0.75
47 "Textbook" adsorption at "nontextbook" adsorption sites: halogen atoms on alkali halide surfaces. Phys Rev Lett 2006 0.75
48 New insights into ethene epoxidation on two oxidized Ag[111] surfaces. J Am Chem Soc 2003 0.75
49 Visualization of hydrogen bonding and associated chirality in methanol hexamers. Phys Rev Lett 2011 0.75