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References from The search for molecular corks beyond carbon monoxide: A quantum mechanical study of N-Heterocyclic carbene adsorption on Pd/Cu(111) and Pt/Cu(111) single atom alloys. Local targets link to admitted publications; unresolved targets remain external evidence.
Hydrogen storage in metal-organic frameworks
10.1021/cr200274s · 2012 · External reference
Thermal decomposition of non-interstitial hydrides for the storage and production of hydrogen
10.1021/cr030691s · 2004 · External reference
Materials for hydrogen-based energy storage – past, recent progress and future outlook
10.1016/j.jallcom.2019.153548 · 2020 · External reference
Controlling a spillover pathway with the molecular cork effect
10.1038/nmat3620 · 2013 · External reference
Carbon monoxide mediated hydrogen release from PtCu single-atom alloys: the punctured molecular cork effect
10.1021/acs.jpcc.9b01213 · 2019 · External reference
Single-atom alloy catalysis
10.1021/acs.chemrev.0c00078 · 2020 · External reference
Single-atom catalysts: from design to application
10.1007/s41918-019-00050-6 · 2019 · External reference
Isolated metal atom geometries as a strategy for selective heterogeneous hydrogenations
10.1126/science.1215864 · 2012 · External reference
H2 activation and spillover on catalytically relevant Pt-Cu single atom alloys
10.1021/acs.jpcc.5b05562 · 2015 · External reference
Adsorption and desorption kinetics in the systems H2/Cu(111), H2/Cu(110) and H2/Cu(100)
10.1016/0039-6028(89)90459-7 · 1989 · External reference
Controlling hydrogen activation, spillover, and desorption with Pd−Au single-atom alloys
10.1021/acs.jpclett.5b02400 · 2016 · External reference
Direct access to IMesF and IMesF2 by electrophilic fluorination of abnormal N-heterocyclic carbenes
10.1021/acs.organomet.9b00151 · 2019 · External reference
Electronic structure trends in N-heterocyclic carbenes (NHCs) with varying number of nitrogen atoms and NHC-Transition-Metal bond properties
10.1002/chem.201301093 · 2013 · External reference
Electronic properties of N-heterocyclic carbenes and their experimental determination
10.1021/acs.chemrev.8b00067 · 2018 · External reference
31PNMR chemical shifts of carbene–phosphinidene adducts as an indicator of the π-accepting properties of carbenes
10.1002/anie.201209109 · 2013 · External reference
Theoretical NMR spectroscopy of N-heterocyclic carbenes and their metal complexes
10.1016/j.ccr.2016.12.015 · 2017 · External reference
What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the p-accepting abilities of N-heterocyclic carbenes?
10.1039/c4sc03264k · 2015 · External reference
Grand canonical quantum mechanical study of the effect of the electrode potential on N-heterocyclic carbene adsorption on Au surfaces
10.1021/acs.jpcc.7b07866 · 2017 · External reference
N-Heterocyclic carbene self-assembled monolayers on copper and gold: dramatic effect of wingtip groups on binding, orientation and assembly
10.1002/cphc.201701045 · 2017 · External reference
Elucidating the binding modes of N-heterocyclic carbenes on a gold surface
10.1021/jacs.8b06180 · 2018 · External reference
Quantum mechanical study of N-heterocyclic carbene adsorption on Au surfaces
10.1021/acs.jpca.7b01153 · 2017 · External reference
Carbene ligands in surface chemistry: from stabilization of discrete elemental allotropes to modification of nanoscale and bulk substrates
10.1021/acs.chemrev.5b00220 · 2015 · External reference
NHC-based self-assembled monolayers on solid gold substrates
10.1071/ch11173 · 2011 · External reference
Addressable carbene anchors for gold surfaces
10.1021/ja401965d · 2013 · External reference
Ultra stable self-assembled monolayers of N-heterocyclic carbenes on gold
10.1038/nchem.1891 · 2014 · External reference
Simple direct formation of self-assembled N-heterocyclic carbene monolayers on gold and their application in biosensing
10.1038/ncomms12654 · 2016 · External reference
Ballbot-type motion of N-heterocyclic carbenes on gold surfaces
10.1038/nchem.2622 · 2016 · External reference
New trends in the functionalization of metallic gold: from organosulfur ligands to N-heterocyclic carbenes
10.1039/c7cs00023e · 2017 · External reference
Van der Waals density functionals applied to solids
10.1103/physrevb.83.195131 · 2011 · External reference
Chemical accuracy for the van der Waals density functional
2009 · External reference
Projector augmented-wave method
10.1103/physrevb.50.17953 · 1994 · External reference
From ultrasoft pseudopotentials to the projector augmented-wave method
10.1103/physrevb.59.1758 · 1999 · External reference
Generalized gradient approximation made simple
10.1103/physrevlett.77.3865 · 1996 · External reference
Unresolved reference
External reference
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
10.1103/physrevb.33.8822 · 1986 · External reference
Density-functional exchange-energy approximation with correct asymptotic behaviour
10.1103/physreva.38.3098 · 1988 · External reference
Property-optimized Gaussian basis sets for molecular response calculations
10.1063/1.3484283 · 2010 · External reference
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: design and assessment of accuracy
10.1039/b508541a · 2005 · External reference
Substituted benzene derivatives on the Cu(111) surface
10.1021/jp302682n · 2012 · External reference
Benzene derivatives adsorbed to the Ag(111) surface: binding sites and electronic structure
10.1063/1.4908267 · 2015 · External reference
A unified ligand electronic parameter based on 13C NMR spectroscopy of N-heterocyclic carbene complexes
10.1039/c6dt04222h · 2017 · External reference
13C NMR spectroscopic determination of ligand donor strengths using N-heterocyclic carbene complexes of palladium 9II0
10.1021/om900667d · 2009 · External reference
A grid-based bader analysis algorithm without lattice bias
10.1088/0953-8984/21/8/084204 · 2009 · External reference
Coverage-dependent interactions at the organics-metal interface: quinonoid zwitterions on au(111)
10.1021/jp403384h · 2013 · External reference
Exchangelike effects for closed-shell adsorbates: interface dipole and work function
10.1103/physrevlett.89.096104 · 2002 · External reference
Magic electret clusters of 4-fluorostyrene on metal surfaces
10.1021/jz3006783 · 2012 · External reference
Surface state engineering of Molecule−Molecule interactions
10.1039/c2cp40254h · 2012 · External reference
Charge transfer induced magic cluster formation of azaborine heterocycles on noble metal surfaces
10.1021/acs.jpcc.5b11970 · 2016 · External reference
Carbon monoxide poisoning resistance and structural stability of single atom alloys
10.1007/s11244-017-0882-1 · 2018 · External reference
Interaction of CO and NO with PdCu(111)
10.1021/jp982118w · 1998 · External reference
Effect of BN/CC isosterism on thermodynamics of surface and bulk binding; 1,2-dihydro-1,2-azaborine vs. benzene
2015 · External reference
