Every reference with a DOI in the deposited reference list resolved to a known
work in Crossref or DataCite at the dated check, and none carried a retraction,
withdrawal, or removal notice.
The 54 checked references that resolve
resolves10.1021/cr040375tFirst-Principles Approaches to the Structure and Reactivity of Atmospherically Relevant Aqueous Interfaces
resolves10.1021/cr040376lMolecular Structure of Water at Interfaces: Wetting at the Nanometer Scale
resolves10.1021/ja0768237On the Mechanism of Low-Temperature Water Gas Shift Reaction on Copper
resolves10.1002/anie.200502540Elucidation of the Electrochemical Activation of Water over Pd by First Principles
resolves10.1016/j.surfrep.2008.04.002Structures of water at electrified interfaces: Microscopic understanding of electrode potential in electric double layers on electrode surfaces
resolves10.1038/414625aDirect splitting of water under visible light irradiation with an oxide semiconductor photocatalyst
resolves10.1063/1.1453965Formation of the cyclic ice hexamer via excitation of vibrational molecular modes by the scanning tunneling microscope
resolves10.1021/jp711097jSurface Species Formed by the Adsorption and Dissociation of Water Molecules on a Ru(0001) Surface Containing a Small Coverage of Carbon Atoms Studied by Scanning Tunneling Microscopy
resolves10.1016/j.cplett.2005.01.106Coadsorption of water dimer and ring-hexamer clusters on M(1 1 1) (M = Cu, Ni, Pt) and Ru(0 0 1) surfaces at 25 K as studied by infrared reflection absorption spectroscopy
resolves10.1021/jp044379dWater Adsorption on Rh(111) at 20 K: From Monomer to Bulk Amorphous Ice
resolves10.1143/JJAP.41.4932Scanning Tunneling Microscopy Study of Water Molecules on Pd(110) at Cryogenic Temperature
resolves10.1021/ja028855uDifferent Surface Chemistries of Water on Ru{0001}: From Monomer Adsorption to Partially Dissociated Bilayers
resolves10.1039/b616689jSimulating ice nucleation, one molecule at a time, with the ‘DFT microscope’
resolves10.1039/B610691ASlab model studies of water adsorption and decomposition on clean and X- (X = C, N and O) contaminated Pd(111) surfaces
resolves10.1063/1.2717172Comparative study of water dissociation on Rh(111) and Ni(111) studied with first principles calculations
resolves10.1021/ct049955oAdsorption of Water Molecules on Flat and Stepped Nickel Surfaces from First Principles
resolves10.1103/PhysRevB.70.205410First-principles calculations for the adsorption of water molecules on the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">Cu</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mn>100</mml:mn></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>surface
resolves10.1021/ja802819fMolecular Mechanisms of a Single H<sub>2</sub>O Diffusion on Palladium Surfaces
resolves10.1080/00268970701420516Computational study of adsorption and the vibrational properties of water on the Cu(110) surface
resolves10.1021/jp712070gElectronic Structure of Monomeric Water Adsorption on Ni{111}: Beyond the General Model
resolves10.1103/PhysRevB.58.13459Correction terms to the density-functional ground-state energy arising from occupation number broadening
The 5 references without a DOI — listed, not checked
no DOI — not checkedref39/cit39
no DOI — not checkedSchiros, T.; Takahashi, O.; Andersson, K. Öström, H.; Pettersson, L. G. M.; Nilsson, A.; Ogasawara, H.Manuscript in preparation.
no DOI — not checkedBaroni, S.; Dal Corso, A.; de Gironcoli, S.; Giannozzi, P.; Cavazzoni, C.; Ballabio, G.; Scandolo, S.; Chiarotti, G.; Focher, P.; Pasquarello, A.; Laasonen, K.; Trave, A.; Car, R.; Marzari, N.; Kokalj, A.http://www.quantumespresso.org/.
no DOI — not checkedIn a private communication with Paolo Giannozzi, he commented that LDEE is the entropy of a Fermi-Dirac gas,f·log(f) + (1 −f)·log(1 −f), wherefis the occupancy, weighted with the local density of states at the Fermi energy, ∑i|Ψ(r)|2δ(EF−εi).
no DOI — not checkedElectrostatic attraction usually belongs to long-range attractive force between bonding atoms, while Pauli repulsion pertains to short-range repulsive forces originating from electrons having the same spin character. Orbital interaction accounts for charge transfer, electronic polarization, and covalent bonding.
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