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Shape and energy consistent pseudopotentials for correlated electron systems
American Institute of Physics | 2017| -
Correlated electron pseudopotentials for 3d-transition metals
American Institute of Physics | 2015| -
Gold carbenes, gold-stabilized carbocations, and cationic intermediates relevant to gold-catalysed enyne cycloaddition
Online Contents | 2016|Contributors: Widenhoefer, R. A -
On the calculation of solubilities via direct coexistence simulations: Investigation of NaCl aqueous solutions and Lennard-Jones binary mixtures
Online Contents | 2016|Contributors: Young, J. M -
Subsidence and human influences in mega deltas: The case of the Ganges-Brahmaputra-Meghna
Online Contents | 2015| -
A ruthenium(ii) bis(phosphinophosphinine) complex as a precatalyst for transfer-hydrogenation and hydrogen-borrowing reactionsElectronic supplementary information (ESI) available: Additional synthetic details, analytical data and crystallographic data. CCDC 1519355-1519357. Additional research data supporting this publication are available from Heriot-Watt University's research data repository at DOI: 10.17861/fde98e25-d7ed-459b-9d90-977119ba4562. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7dt01022b
Online Contents | 2017|Contributors: Wingad, R. L -
Pseudopotentials for correlated electron systems
National licenceAmerican Institute of Physics | 2013| -
Gold carbenes, gold-stabilized carbocations, and cationic intermediates relevant to gold-catalysed enyne cycloaddition
National licenceRoyal Society of Chemistry | 2016| -
Advances in the environmental transmission electron microscope (ETEM) for nanoscale in situ studies of gas–solid interactions
National licenceRoyal Society of Chemistry | 2014| -
Insights into a 20-ha multi-contaminated brownfield megasite: An environmental forensics approach
Online Contents | 2016| -
Neutral and cationic bismuth compounds supported by bis(amidodimethyl)disiloxane ligandsThe bis(amidodimethyl)disiloxane ligand has also been referred to generically as the disiloxane-1,3-diamido ligand, the diamidosilylether ligand, the disilylamidoether ligand and the bis(aminosilyl)ether. In this contribution, the bis(amidodimethyl)disiloxane ligand denotes the [O{SiMe2NR'}2]2− dianion coordinated to a metal centre.Electronic supplementary information (ESI) available: Representative NMR spectra of 1b and 2b, figures of [1b]2 and [1c]2 dimers, table of crystal structure and refinement data for 1b, 2b, 3c and 4c. CCDC 1528433-1528436. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7dt00230k
Online Contents | 2017| -
Improved Electrochemical Phase Diagrams from Theory and Experiment: The Ni–Water System and Its Complex Compounds
American Chemical Society | 2017| -
Field-Induced Slow Magnetic Relaxation in a Mononuclear Manganese(II) Complex
American Chemical Society | 2019| -
Tidal and seasonal forcing of dissolved nutrient fluxes in reef communities
Free accessDOAJ | 2019|
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