Published in Faraday Discuss on April 24, 2015
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A one-dimensional ice structure built from pentagons. Nat Mater (2009) 1.20
Improved description of soft layered materials with van der Waals density functional theory. J Phys Condens Matter (2012) 1.16
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The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals. Faraday Discuss (2013) 0.98
Hydrogen bonds and van der waals forces in ice at ambient and high pressures. Phys Rev Lett (2011) 0.97
Quantum nature of the proton in water-hydroxyl overlayers on metal surfaces. Phys Rev Lett (2010) 0.93
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To wet or not to wet? Dispersion forces tip the balance for water ice on metals. Phys Rev Lett (2011) 0.89
Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations. J Chem Phys (2011) 0.88
Surface energy and surface proton order of the ice Ih basal and prism surfaces. J Phys Condens Matter (2010) 0.88
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Quantum simulation of low-temperature metallic liquid hydrogen. Nat Commun (2013) 0.87
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
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Proton ordering in cubic ice and hexagonal ice; a potential new ice phase--XIc. Phys Chem Chem Phys (2011) 0.86
Melting the ice: on the relation between melting temperature and size for nanoscale ice crystals. ACS Nano (2011) 0.86
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The role of van der Waals forces in water adsorption on metals. J Chem Phys (2013) 0.86
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Interfacial water: a first principles molecular dynamics study of a nanoscale water film on salt. J Chem Phys (2009) 0.81
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics. Phys Chem Chem Phys (2011) 0.81
Trends in water monomer adsorption and dissociation on flat insulating surfaces. Phys Chem Chem Phys (2011) 0.80
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Theory of gold on ceria. Phys Chem Chem Phys (2010) 0.78
Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces. J Chem Phys (2009) 0.77
Positive charge States and possible polymorphism of gold nanoclusters on reduced ceria. J Am Chem Soc (2010) 0.77
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
Proton transfer in adsorbed water dimers. Phys Chem Chem Phys (2010) 0.77
Nature of proton transport in a water-filled carbon nanotube and in liquid water. Phys Chem Chem Phys (2013) 0.77
Structure of gold atoms on stoichiometric and defective ceria surfaces. J Chem Phys (2008) 0.77
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
The water-benzene interaction: insight from electronic structure theories. J Chem Phys (2009) 0.76
Classical and quantum ordering of protons in cold solid hydrogen under megabar pressures. J Phys Condens Matter (2013) 0.76
Significant quantum effects in hydrogen activation. ACS Nano (2014) 0.75
Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs. J Phys Chem Lett (2016) 0.75
Hydrogen-bonded assembly of methanol on Cu(111). Phys Chem Chem Phys (2012) 0.75
Hydrogenation Facilitates Proton Transfer Through Two-Dimensional Honeycomb Crystals. J Phys Chem Lett (2017) 0.75
New insights into ethene epoxidation on two oxidized Ag[111] surfaces. J Am Chem Soc (2003) 0.75
Visualization of hydrogen bonding and associated chirality in methanol hexamers. Phys Rev Lett (2011) 0.75
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"Textbook" adsorption at "nontextbook" adsorption sites: halogen atoms on alkali halide surfaces. Phys Rev Lett (2006) 0.75