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Journal of the American Chemical Society, ISSN 0002-7863, 06/2010, Volume 132, Issue 23, pp. 8056 - 8070
We report a comprehensive density functional theory (DFT) study of the mechanism of the methanol dehydrogenation reaction catalyzed by [RuH2(H-2)(PPh3)(3)].... 
LIQUID-PHASE | HOMOGENEOUS RUTHENIUM | KETONES | DEHYDROGENATION | METHANOL | PHOSPHINE | ALPHA,BETA-UNSATURATED ALDEHYDES | ORGANOMETALLIC COMPLEXES | COORDINATION | NONCOVALENT INTERACTIONS | CHEMISTRY, MULTIDISCIPLINARY | Usage | Ruthenium | Organometallic compounds | Density functionals | Chemical properties | Structure | Alcohols | Methanol | Chemical Sciences
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 10/2010, Volume 132, Issue 40, pp. 14092 - 14103
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 02/2014, Volume 118, Issue 5, pp. 947 - 953
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 07/2015, Volume 48, Issue 7, pp. 1815 - 1822
CONSPECTUS: Dispersive interactions are known to play a major role in molecular associations in the gas phase and in the solid state. In solution, however,... 
MOLECULAR RECOGNITION | INTERACTION ENERGIES | BINDING-AFFINITY | AROMATIC INTERACTIONS | BIOLOGICAL RECOGNITION | NONCOVALENT INTERACTIONS | BETA-HAIRPIN PEPTIDE | CHEMISTRY, MULTIDISCIPLINARY | PORPHYRIN COMPLEXES | ORGANIC-CRYSTALS | HYDROGEN-BONDS | Chemical properties | Analysis | Dispersion | Organic compounds
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 06/2018, Volume 2018, Issue 20-21, pp. 2393 - 2398
Halogen bonding in self‐complementary 1:2 metal–ligand complexes obtained from copper(II) bromide (CuBr 2 ) and seven 2,5‐dihalopyridines were analyzed using... 
Intermolecular interactions | Copper | Structure elucidation | Halogens | COPPER(II) | CRYSTAL-STRUCTURES | IONS | IODINE | NONCOVALENT INTERACTIONS | SUPRAMOLECULAR CHEMISTRY | CHEMISTRY, INORGANIC & NUCLEAR | LIGANDS | DOT-X'-C | SYNTHONS | Copper compounds | Pyridine | Copper bromide | X-ray diffraction | Electronegativity | Coordination compounds
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 7/2012, Volume 14, Issue 31, pp. 1891 - 1895
Following the H + H 2 and F + H 2 reactions, the fluorine atom - water system has the potential to become one of the best understood chemical reactions.... 
ADIABATIC CONNECTION | THERMOCHEMICAL KINETICS | CORRELATED MOLECULAR CALCULATIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHARGE-TRANSFER STATES | CORRELATION-ENERGY | CHEMISTRY, PHYSICAL | NONCOVALENT INTERACTIONS | ADJUSTABLE-PARAMETERS | HARTREE-FOCK | GENERALIZED GRADIENT APPROXIMATION | GAUSSIAN-BASIS SETS
Journal Article
Journal Article
Accounts of Chemical Research, ISSN 0001-4842, 07/2014, Volume 47, Issue 7, pp. 2041 - 2051
CONSPECTUS: Supramolecular complexes, including various low-molecular-mass structures and large molecular aggregates that are assembled by reversible and... 
POLYMERIC ARCHITECTURES | POLYPSEUDOROTAXANE | NONCOVALENT SYNTHESIS | RECOGNITION | CHEMISTRY | NANOSTRUCTURES | COPOLYMERS | DRIVEN | BONDING UREIDOPYRIMIDINONE MOTIF | CHEMISTRY, MULTIDISCIPLINARY | METAL-COORDINATION | Nanotechnology | Research | Self assembly | Construction | Dynamic tests | Architecture | Dynamics | Biological | Dynamical systems | Stimuli
Journal Article
Chemical Communications, ISSN 1359-7345, 2006, Issue 37, pp. 3859 - 3867
Organometallic half-sandwich complexes of the late transition metals are versatile building blocks for supramolecular chemistry. They can be used to build... 
HYDROPHOBIC INTERACTIONS | NONCOVALENT PI-PI | BIOORGANOMETALLIC CHEMISTRY | IRIDIUM(III) COMPLEXES | MOLECULAR RECOGNITION | AMINO-ACIDS | PENTAMETHYLCYCLOPENTADIENYL GROUP | CHIRAL SELF-RECOGNITION | CHEMISTRY, MULTIDISCIPLINARY | CARBOXYLIC-ACID GUESTS | DYNAMIC COMBINATORIAL LIBRARIES
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 05/2018, Volume 57, Issue 9, pp. 5429 - 5437
We performed a comprehensive analysis of intermolecular carbonyl-carbonyl interactions in transition-metal complexes. Those interactions can be classified in... 
ENERGY DECOMPOSITION ANALYSIS | LONDON DISPERSION | SIGMA-HOLE INTERACTIONS | PI-PI STACKING | MOLECULAR-STRUCTURE | AB-INITIO | LEWIS-ACID CENTERS | CENTER-DOT-H | ONLY HYDROGENASE | NONCOVALENT INTERACTIONS | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
CHEMICAL SCIENCE, ISSN 2041-6520, 05/2019, Volume 10, Issue 20, pp. 5226 - 5234
BINOL derived chiral phosphoric acids (CPAs) are widely known for their high selectivity. Numerous 3,3 0 substituents are used for a variety of stereoselective... 
ASYMMETRIC TRANSFER HYDROGENATION | MANNICH-TYPE REACTION | SPECTROSCOPY | MODE | MULTIDIMENSIONAL NMR | NONCOVALENT INTERACTIONS | BINDING | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 1/2015, Volume 17, Issue 5, pp. 3261 - 3272
Journal Article