Related references
Note: Only part of the references are listed.Effect of hydrogen spillover on the surface of tungsten oxide on hydrogenation of cyclohexene and N-propylcarbazole
Peijie Li et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)
Hexene hydrogenation catalysed by the complex monohydrid complexes: A DFT study of associated vs dissociated pathways
Sofiene Achour et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2020)
Liquid Organic Hydrogen Carrier (LOHC) - Assessment based on chemical and economic properties
Matthias Niermann et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)
Syntheses, structures and electrochemical properties of ruthenium(II/III) complexes with tetradentate Schiff base ligands
Jiao Ji et al.
JOURNAL OF COORDINATION CHEMISTRY (2019)
DFT studies on the mechanism of acetylene hydrochlorination over gold-based catalysts and guidance for catalyst construction
Chaoyue Zhao et al.
INORGANIC CHEMISTRY FRONTIERS (2019)
Synthesis, structure and catalytic alcohol oxidation by ruthenium(III) supported by Schiff base and triphenylphosphine ligands
Li-Hua Tang et al.
INORGANICA CHIMICA ACTA (2018)
Intramolecular hydrogenation of triethylsilylethylene catalyzed by Ru(II) complex: Agostic bond formation and trizonal transition states with ten acting atoms
Sofiene Achour et al.
INORGANICA CHIMICA ACTA (2018)
Hydrogenation of Cyclohexene on the M/Pt(111) and Pt/M/Pt(111) (M = Fe, Co, Ni, and Cu) Surfaces from a Systematic DFT Study
Hong-Yan Ma et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Grubbs and Hoveyda-Grubbs catalysts for pyridine derivative synthesis: Probing the mechanistic pathways using DFT
Premaja R. Remya et al.
MOLECULAR CATALYSIS (2018)
Effect of sulfur-carbon interaction on sulfur poisoning of Ni/Al2O3 catalysts for hydrogenation
Junpeng Feng et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2017)
Theoretical evidence for bond stretch isomerism in Grubbs olefin metathesis
Premaja R. Remya et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2017)
First-Row Late Transition Metals for Catalytic Alkene Hydrofunctionalisation: Recent Advances in C-N, C-O and C-P Bond Formation
Sophie Bezzenine-Lafollee et al.
MOLECULES (2017)
Mechanistic studies on acetylene cyclotrimerization catalyzed by Grubbs first and second generation catalysts
Premaja R. Remya et al.
MOLECULAR CATALYSIS (2017)
Can Contemporary Density Functional Theory Predict Energy Spans in Molecular Catalysis Accurately Enough To Be Applicable for in Silico Catalyst Design? A Computational/Experimental Case Study for the Ruthenium-Catalyzed Hydrogenation of Olefins
Kai Rohmann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Experimental assessment of the degree of hydrogen loading for the dibenzyl toluene based LOHC system
Karsten Mueller et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2016)
Reduction of olefins, nitroarenes and Schiff base compounds by a polymer-supported [2-(2'-pyridyl)benzimidazole]palladium complex
M. L. Shilpa et al.
TRANSITION METAL CHEMISTRY (2016)
Exploring the Ruthenium-Ligands Bond and Their Relative Properties at Different Computational Methods
Adebayo A. Adeniyi et al.
JOURNAL OF CHEMISTRY (2016)
Catalytic hydrogenation and dehydrogenation of N-ethylindole as a new heteroaromatic liquid organic hydrogen carrier
Yuan Dong et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2015)
Computational Organic Chemistry: Bridging Theory and Experiment in Establishing the Mechanisms of Chemical Reactions
Gui-Juan Cheng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Syntheses and Crystal Structures of Ruthenium-Salen Complexes Containing Triphenylphosphine Ligands
Yan Li et al.
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES (2015)
Graphite oxide functionalized with ionic liquid and ruthenium as hydrogenation catalyst
Jer-Yeu Lee et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2014)
Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes
Renyuan Pony Yu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase
Yury Minenkov et al.
DALTON TRANSACTIONS (2012)
Dehydrogenation kinetics and catalysis of organic heteroaromatics for hydrogen storage
Farnaz Sotoodeh et al.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2012)
Ruthenium(0) Nanoclusters Stabilized by a Nanozeolite Framework: Isolable, Reusable, and Green Catalyst for the Hydrogenation of Neat Aromatics under Mild Conditions with the Unprecedented Catalytic Activity and Lifetime
Mehmet Zahmakiran et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
Aleksandr V. Marenich et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Computational prediction of small-molecule catalysts
K. N. Houk et al.
NATURE (2008)
Computational Design of C2-Symmetric Metallocene-Based Catalysts for the Synthesis of High Molecular Weight Polymers from Ethylene/Propylene Copolymerization
Tebikie Wondimagegn et al.
ORGANOMETALLICS (2008)
Mechanism of olefin hydrogenation catalyzed by RuHCl(L)(PR3)2 complexes (L = CO, PR3):: A DFT study
Christopher N. Rowley et al.
ORGANOMETALLICS (2008)
Asymmetric catalysis of metal complexes with non-planar ONNO ligands: salen, salalen and salan
Kazuhiro Matsumoto et al.
CHEMICAL COMMUNICATIONS (2007)
Energy-represented direct inversion in the iterative subspace within a hybrid geometry optimization method
XS Li et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Quantum mechanical continuum solvation models
J Tomasi et al.
CHEMICAL REVIEWS (2005)
Theoretical methods of potential use for studies of inorganic reaction mechanisms
T Ziegler et al.
CHEMICAL REVIEWS (2005)
Olefin hydrogenation using diimine pyridine complexes of Co and Rh
Q Knijnenburg et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2005)
Hydrogen storage by decalin/naphthalene pair and hydrogen supply to fuel cells by use of superheated liquid-film-type catalysis
S Hodoshima et al.
APPLIED CATALYSIS A-GENERAL (2005)
Share Paper
