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Angewandte Chemie International Edition, ISSN 1433-7851, 04/2018, Volume 57, Issue 17, pp. 4760 - 4764
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 10/2013, Volume 52, Issue 44, pp. 11599 - 11602
A charge‐displacement analysis of gold–ethyne complexes shows the existence of a quantitative relationship between measurable properties and the chemical bond... 
gold | density functional calculations | multiple bonds | alkyne ligands | bond theory | CARBENE | CATALYSIS | MODEL | CHEMISTRY, MULTIDISCIPLINARY | Case studies | Donations | Acetylene | Chemical bonds | Constituents
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 01/2019, Volume 15, Issue 1, pp. 215 - 228
Journal Article
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY, ISSN 1860-5397, 04/2018, Volume 14, Issue 1, pp. 919 - 929
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 06/2019, Volume 21, Issue 22, pp. 11569 - 11577
Local energy decomposition (LED) analysis decomposes the interaction energy between two fragments calculated at the domain-based local pair natural orbital... 
Journal Article
ISSN 1463-9076, 6/2019, Volume 21, Issue 22, pp. 11569 - 11577
Local energy decomposition (LED) analysis decomposes the interaction energy between two fragments calculated at the domain-based local pair natural orbital... 
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 22, pp. 11569 - 11577
Local energy decomposition (LED) analysis decomposes the interaction energy between two fragments calculated at the domain-based local pair natural orbital... 
Organic chemistry | Transition metals | Organometallic compounds | Alkanes | Decomposition | Selectivity | Dispersion
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 03/2019, Volume 15, Issue 3, pp. 1616 - 1632
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 07/2016, Volume 120, Issue 27, pp. 5239 - 5247
The activation of alkynes toward nucleophilic attack upon coordination to gold-based catalysts (neutral and positively charged gold clusters and gold complexes... 
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 07/2018, Volume 14, Issue 7, pp. 3524 - 3531
Journal Article
Chemical Science, ISSN 2041-6520, 2016, Volume 7, Issue 2, pp. 1174 - 1184
The CO stretching response upon coordination to a metal M to form [(L) M(CO)] complexes (L is an auxiliary ligand) is investigated in relation to the σ... 
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 12/2018, Volume 24, Issue 71, pp. 18922 - 18932
Several pnictogen dihalide complexes of the type (WCA‐IDipp)EX 2 (E=P, As, Sb; X=Cl, Br) that bear an anionic N ‐heterocyclic carbene ligand with a weakly... 
dipnictenes | local energy decomposition | pnictogens | heterocyclic carbenes | London dispersion | N-heterocyclic carbenes | Stibenes | Quantum chemistry | Structural stability | Toluene | Metathesis | Lithium | Light emitting diodes | Chemical compounds | Carbenes | Dispersion | Organic chemistry | Cations | Magnesium
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 07/2016, Volume 120, Issue 27, pp. 5239 - 5247
The activation of alkynes toward nucleophilic attack upon coordination to gold-based catalysts (neutral and positively charged gold clusters and gold complexes... 
NANOPARTICLES | HYDROCHLORINATION | BACK-DONATION | ETHYLENE | ACETYLENE COMPLEXES | CLUSTERS | ORGANIC-REACTIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | BASIS-SETS | AU-CATALYSIS | DENSITY-FUNCTIONAL THEORY | Gold compounds | Usage | Chemical properties | Catalysis
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 09/2014, Volume 53, Issue 18, pp. 9907 - 9916
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 02/2015, Volume 21, Issue 6, pp. 2467 - 2473
Even though the Dewar–Chatt–Duncanson model has been successfully used by chemists since the 1950s, no experimental methodology is yet known to unambiguously... 
gold | density functional calculations | ligands | NMR spectroscopy | bond theory | Gold | Ligands | Density functional calculations | Bond theory | Gold - chemistry | Quantum Theory | Magnetic Resonance Spectroscopy | Nitrogen - chemistry | Models, Molecular | Coordination Complexes - chemistry | Carbon - chemistry | Index Medicus
Journal Article