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Per E. M. Siegbahn A Major Structural Change of the Homocitrate Ligand of Probable Importance for the Nitrogenase Mechanism
Inorganic Chemistry
2018
Per E. M. Siegbahn, Margareta R. A. Blomberg A Systematic DFT Approach for Studying Mechanisms of Redox Active Enzymes
Frontiers in Chemistry
2018
Ferran Planas, Xiang Sheng, Michael J. McLeish, et al. A Theoretical Study of the Benzoylformate Decarboxylase Reaction Mechanism
Frontiers in Chemistry
2018
Oscar Verho, Monireh Pourghasemi Lati, Michael Oschmann A Two-Step Procedure for the Overall Transamidation of 8-Aminoquinoline Amides Proceeding via the Intermediate N-Acyl-Boc-Carbamates
Journal of Organic Chemistry
2018
Greco González Miera, Elisa Martínez-Castro, Belén Martín-Matute Acceptorless Alcohol Dehydrogenation : OH vs NH Effect in Bifunctional NHC–Ir(III) Complexes
Organometallics
2018
Biswanath Das, Henrik Daver, Monika Pyrkosz-Bulska, et al. An Unsymmetric Ligand with a N5O2 Donor Set and Its Corresponding Dizinc Complex : A Structural and Functional Phosphoesterase Model
European Journal of Inorganic Chemistry
2018
Oriana Brea, Otilia Mó, Manuel Yáñez, et al. Are beryllium-containing biphenyl derivatives efficient anion sponges?
Journal of Molecular Modeling
2018
Jia Zheng, Cristiana Margarita, Suppachai Krajangsri, et al. Asymmetric Total Synthesis of (-)-Juvabione via Sequential Ir-Catalyzed Hydrogenations
Organic Letters
2018
Elis Erbing, Amparo Sanz-Marco, Ana Vazquez-Romero, et al. Base- and Additive-Free Ir-Catalyzed ortho-Iodination of Benzoic Acids : Scope and Mechanistic Investigations
ACS Catalysis
2018
Nolan M. Betterley, Sutthichat Kerdphon, Suppisak Chaturonrutsamee, et al. Bi(OTf)(3) Enabled C-F Bond Cleavage in HFIP : Electrophilic Aromatic Formylation with Difluoro(phenylsulfanyl)methane
Asian Journal of Organic Chemistry
2018
Sybrand J. T. Jonker, Colin Diner, Göran Schulz, et al. Catalytic asymmetric propargyl- and allylboration of hydrazonoesters : a metal-free approach to sterically encumbered chiral alpha-amino acid derivatives
Chemical Communications
2018
Man-Bo Li, Andrew Kentaro Inge, Daniels Posevins, et al. Chemodivergent and Diastereoselective Synthesis of gamma-Lactones and gamma-Lactams : A Heterogeneous Palladium-Catalyzed Oxidative Tandem Process
Journal of the American Chemical Society
2018
Masoud Kazemi, Xiang Sheng, Wolfgang Kroutil, et al. Computational Study of Mycobacterium smegmatis Acyl Transferase Reaction Mechanism and Specificity
ACS Catalysis
2018
Bin Yang, Youai Qiu, Jan-E. Bäckvall Control of Selectivity in Palladium(II)-Catalyzed Oxidative Transformations of Allenes
Accounts of Chemical Research
2018
Ismail Ibrahem, Muhammad Naeem Iqbal, Oscar Verho, et al. Copper Nanoparticles on Controlled Pore Glass and TEMPO for the Aerobic Oxidation of Alcohols
ChemNanoMat
2018
Jian Zhao, Sybrand J. T. Jonker, Denise N. Meyer, et al. Copper-catalyzed synthesis of allenylboronic acids. Access to sterically encumbered homopropargylic alcohols and amines by propargylboration
Chemical Science
2018
Peter Olsén, Jennifer Morvan, Supaporn Sawadjoon, et al. Cyclic allylic carbonates as a renewable platform for protecting chemistry in water
Green Chemistry
2018
Stalin Reddy Pathi Pati Development of new Catalytic Methods for the Selective Synthesis of Heterocycles 2018
Elis Erbing Development of New Efficient Iridium-Catalyzed Methods for the Construction of Carbon-Heteroatom Bonds 2018
Suppachai Krajangsri Development of Asymmetric Iridium Catalysed Hydrogenation Reactions 2018
Sudipta Ponra, Wangchuk Rabten, Jianping Yang, et al. Diastereo- and Enantioselective Synthesis of Fluorine Motifs with Two Contiguous Stereogenic Centers
Journal of the American Chemical Society
2018
Stalin R. Pathipati, Angela van der Werf, Nicklas Selander Diastereoselective Synthesis of Polycyclic Indolizines with 2-(2-Enynyl)pyridines and Enamines
Organic Letters
2018
Mirco Zerbetto, Thibault Angles d'Ortoli, Antonino Polimeno, et al. Differential Dynamics at Glycosidic Linkages of an Oligosaccharide as Revealed by C-13 NMR Spin Relaxation and Stochastic Modeling
Journal of Physical Chemistry B
2018
Davide Di Francesco, Elena Subbotina, Sari Rautiainen, et al. Ductile Pd-Catalysed Hydrodearomatization of Phenol-Containing Bio-Oils Into Either Ketones or Alcohols using PMHS and H2O as Hydrogen Source
Advanced Synthesis and Catalysis
2018
Arnar Gudmundsson, Karl P. J. Gustafson, Bin Yang, et al. Efficient Formation of 2,3-Dihydrofurans via Iron-Catalyzed Cycloisomerization of alpha-Allenols
ACS Catalysis
2018
Jie Liu, Alexander Ricke, Bin Yang, et al. Efficient Palladium-Catalyzed Aerobic Arylative Carbocyclization of Enallenynes
Angewandte Chemie International Edition
2018
Christoffer Hamark, Robert Pendrill, Jens Landström, et al. Enantioselective Binding of Propranolol and Analogues Thereof to Cellobiohydrolase Cel7A
Chemistry - A European Journal
2018
Giovanna M. Pope, Ivan Hung, Zhehong Gan, et al. Exploiting C-13/N-14 solid-state NMR distance measurements to assign dihedral angles and locate neighboring molecules
Chemical Communications
2018
Miguel A. Cortés González, Patrik Nordeman, Antonio Bermejo Gómez, et al. [F-18]fluoro-benziodoxole : a no-carrier-added electrophilic fluorinating reagent. Rapid, simple radiosynthesis, purification and application for fluorine-18 labelling
Chemical Communications
2018
Estrella Martínez-Gómez, Jonas Ståhle, Yolanda Gil-Ramírez, et al. Genomic Insertion of a Heterologous Acetyltransferase Generates a New Lipopolysaccharide Antigenic Structure in Brucella abortus and Brucella melitensis
Frontiers in Microbiology
2018
Mojgan Heshmat, Timofei Privalov H-2 Cleavage by Frustrated Lewis Pairs Characterized by the Energy Decomposition Analysis of Transition States : An Alternative to the Electron Transfer and Electric Field Models
Journal of Physical Chemistry A
2018
Tamás Görbe, Richard Lihammar, Jan-E. Bäckvall Heterogeneous Acid-Catalyzed Racemization of Tertiary Alcohols
Chemistry - A European Journal
2018
Tamás Görbe Heterogeneous catalysis in racemization and kinetic resolution along a journey in protein engineering 2018
Alexander Orebom, J. Johan Verendel, Joseph S. M. Samec High Yields of Bio Oils from Hydrothermal Processing of Thin Black Liquor without the Use of Catalysts or Capping Agents
ACS omega
2018
Yan Jiang, Luca Deiana, Rana Alimohammadzadeh, et al. Highly Diastereo- and Enantioselective Cascade Synthesis of Bicyclic Lactams in One-Pot
European Journal of Organic Chemistry
2018
Daniels Posevins, Youai Qiu, Jan-E. Bäckvall Highly Diastereoselective Palladium-Catalyzed Oxidative Carbocyclization of Enallenes Assisted by a Weakly Coordinating Hydroxyl Group
Journal of the American Chemical Society
2018
Can Zhu, Bin Yang, Binh Khanh Mai, et al. Highly Selective Palladium-Catalyzed Hydroborylative Carbocyclization of Bisallenes to Seven-Membered Rings
Journal of the American Chemical Society
2018
Robin Dorau, Tamás Görbe, Maria Svedendahl Humble Improved Enantioselectivity of Subtilisin Carlsberg Towards Secondary Alcohols by Protein Engineering
ChemBioChem (Print)
2018
Piret Villo, Gabriella Kervefors, Berit Olofsson Inside front cover 2018
Wangchuk Rabten, Cristiana Margarita, Lars Eriksson, et al. Ir-Catalyzed Asymmetric and Regioselective Hydrogenation of Cyclic Allylsilanes and Generation of Quaternary Stereocenters via the Hosomi-Sakurai Allylation
Chemistry - A European Journal
2018
Jianguo Liu, Suppachai Krajangsri, Jianping Yang, et al. Iridium-catalysed asymmetric hydrogenation of allylic alcohols via dynamic kinetic resolution
Nature Catalysis
2018
Suppachai Krajangsri, Jianping Yang, Luca Massaro, et al. Iridium-Catalysed Enantioselective Hydrogenation of Enamides 2018
Per E. M. Siegbahn Is there computational support for an unprotonated carbon in the E-4 state of nitrogenase?
Journal of Computational Chemistry
2018
Kilian Colas, Abraham Mendoza Iterative Synthesis of Pluripotent Thioethers through Controlled Redox Fluctuation of Sulfur
Synlett: Accounts and Rapid Communications in Synthetic Organic Chemistry
2018
Teresa Bartholomeyzik, Robert Pendrill, Richard Lihammar, et al. Kinetics and Mechanism of the Palladium-Catalyzed Oxidative Arylating Carbocyclization of Allenynes
Journal of the American Chemical Society
2018
Stefano Santoro, Fahmi Himo Mechanism and selectivity of rhodium-catalyzed CH bond arylation of indoles
International Journal of Quantum Chemistry
2018
Xiang Sheng, Yury Patskovsky, Anna Vladimirova, et al. Mechanism and Structure of gamma-Resorcylate Decarboxylase
Biochemistry
2018
Margareta R. A. Blomberg, Pia Ädelroth Mechanisms for enzymatic reduction of nitric oxide to nitrous oxide - A comparison between nitric oxide reductase and cytochrome c oxidase
Biochimica et Biophysica Acta - Bioenergetics
2018
Binh Khanh Mai, Kálmán J. Szabó, Fahmi Himo Mechanisms of Rh-Catalyzed Oxyaminofluorination and Oxyaminotrifluoromethylthiolation of Diazocarbonyl Compounds with Electrophilic Reagents
Organic Letters
2018
Binh Khanh Mai, Kálmán J. Szabó, Fahmi Himo Mechanisms of Rh-Catalyzed Oxyfluorination and Oxytrifluoromethylation of Diazocarbonyl Compounds with Hypervalent Fluoroiodine
ACS Catalysis
2018
Masoud Kazemi, Jaka Socan, Fahmi Himo, et al. Mechanistic alternatives for peptide bond formation on the ribosome
Nucleic Acids Research
2018
Youai Qiu, Abraham Mendoza, Daniels Posevins, et al. Mechanistic Insight into Enantioselective Palladium-Catalyzed Oxidative Carbocyclization-Borylation of Enallenes
Chemistry - A European Journal
2018
Rong-Zhen Liao, Shigeyuki Masaoka, Per E. M. Siegbahn Metal Oxidation States for the O-O Bond Formation in the Water Oxidation Catalyzed by a Pentanuclear Iron Complex
ACS Catalysis
2018
Gabriella Kervefors, Antonia Becker, Chandan Dey, et al. Metal-free formal synthesis of phenoxazine
Beilstein Journal of Organic Chemistry
2018
Markus D. Kärkäs, Ying-Ying Li, Per E. M. Siegbahn, et al. Metal-Ligand Cooperation in Single-Site Ruthenium Water Oxidation Catalysts : A Combined Experimental and Quantum Chemical Approach
Inorganic Chemistry
2018
Sergio Carrasco Metal-Organic Frameworks for the Development of Biosensors : A Current Overview
Biosensors
2018
Henrik Daver, Andrés G. Algarra, Julius Rebek, et al. Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules
Journal of the American Chemical Society
2018
Oriana Brea, Alberto Luna, Cristina Diaz, et al. Molecular Modelling of the H-2-Adsorptive Properties of Tetrazolate-Based Metal-Organic Frameworks : From the Cluster Approach to Periodic Simulations
ChemPhysChem
2018
Sunhwan Jo, Daniel Myatt, Yifei Qi, et al. Multiple Conformational States Contribute to the 3D Structure of a Glucan Decasaccharide : A Combined SAXS and MD Simulation Study
Journal of Physical Chemistry B
2018
Kilian Colas New C-C coupling Reactions Enabled by Main-group Organometallics 2018
Dong Wang New Reactions with Allyl- and Allenylboron Reagents : Transition-Metal-Catalyzed and Transition-Metal-Free Carbon-Carbon Bond Formation Processes 2018
Sutthichat Kerdphon NHC,P- and N,P-Iridium Catalysts for Hydrogenations and Hydrogen Transfer Reactions 2018
Monireh Pourghasemi Lati, Muhammad Iqbal Naeem, Mokhtar Alinia-Asli, et al. Palladium Nanoparticles Immobilized on an Aminopropyl-functionalized Silica-Magnetite Composite as a Recyclable Catalyst for Suzuki-Miyaura Reactions
Chemistryselect
2018
Thanya Rukkijakan, Sunisa Akkarasamiyo, Supaporn Sawadjoon, et al. Pd-Catalyzed Substitution of the OH Group of Nonderivatized Allylic Alcohols by Phenols
Journal of Organic Chemistry
2018
Ning Yuan, Vlad Pascanu, Zhehao Huang, et al. Probing the Evolution of Palladium Species in Pd@MOF Catalysts during the Heck Coupling Reaction : An Operando X-ray Absorption Spectroscopy Study
Journal of the American Chemical Society
2018
Xiang Sheng, Katharina Pasch, Stefan E. Payer, et al. Reaction Mechanism and Substrate Specificity of Iso-orotate Decarboxylase : A Combined Theoretical and Experimental Study
Frontiers in Chemistry
2018
Susanna Monti, Pemikar Srifa, Ivan Kumaniaev, et al. ReaxFF Simulations of Lignin Fragmentation on a Palladium-Based Heterogeneous Catalyst in Methanol-Water Solution
Journal of Physical Chemistry Letters
2018
Nibadita Purkait, Gabriella Kervefors, Erika Linde, et al. Regiospecific N-Arylation of Aliphatic Amines under Mild and Metal-Free Reaction Conditions
Angewandte Chemie International Edition
2018
Brandon Tutkowski, Sutthichat Kerdphon, Elaine Limé, et al. Revisiting the Stereodetermining Step in Enantioselective Iridium-Catalyzed Imine Hydrogenation
ACS Catalysis
2018
Andrey Shatskiy Ru-Based Water Oxidation Catalysts : Development and Mechanistic Studies 2018
Amparo Sanz-Marco, Samuel Martinez-Erro, Belén Martín-Matute Selective Synthesis of Unsymmetrical Aliphatic Acyloins through Oxidation of Iridium Enolates
Chemistry - A European Journal
2018
Paz Trillo, Tove Slagbrand, Hans Adolfsson Straightforward alpha-Amino Nitrile Synthesis Through Mo(CO)(6)-Catalyzed Reductive Functionalization of Carboxamides
Angewandte Chemie International Edition
2018
Mojgan Heshmat, Timofei Privalov Structurally Flexible Oxocarbenium/Borohydride Ion Pair : Dynamics of Hydride Transfer on the Background of Conformational Roaming
Journal of Physical Chemistry A
2018
Karl P. J. Gustafson Studies on Metalloenzymatic Dynamic Kinetic Resolutions and Iron-Catalyzed Reactions of Allenes 2018
Mojgan Heshmat, Timofei Privalov Surprisingly Flexible Oxonium/Borohydride Ion Pair Configurations
Journal of Physical Chemistry A
2018
Hani Mobarak Synthesis and analysis of carbohydrates related to bacterial polysaccharides 2018
S. Daikoku, Robert Pendrill, Y. Kanie, et al. Synthesis and structural investigation of a series of mannose-containing oligosaccharides using mass spectrometry
Organic and biomolecular chemistry
2018
Amparo Sanz-Marco, Stefan Mozina, Samuel Martinez-Erro, et al. Synthesis of alpha-Iodoketones from Allylic Alcohols through Aerobic Oxidative Iodination
Advanced Synthesis and Catalysis
2018
Dong Wang, Martin J. M. de Wit, Kálmán J. Szabó Synthesis of Densely Substituted Conjugated Dienes by Transition-Metal-Free Reductive Coupling of Allenylboronic Acids and Tosylhydrazones
Journal of Organic Chemistry
2018
Peter Olsén, Michael Oschmann, Eric V. Johnston, et al. Synthesis of highly functional carbamates through ring-opening of cyclic carbonates with unprotected alpha-amino acids in water
Green Chemistry
2018
Anita Kiss, Bianka Edina Herman, Tamás Görbe, et al. Synthesis of novel 17-triazolyl-androst-5-en-3-ol epimers via Cu(I)-catalyzed azide-alkyne cycloaddition and their inhibitory effect on 17 alpha-hydroxylase/ C-17,C-20-lyase
Steroids
2018
Marcus Reitti, Ramani Gurubrahamam, Melanie Walther, et al. Synthesis of Phenols and Aryl Silyl Ethers via Arylation of Complementary Hydroxide Surrogates
Organic Letters
2018
Nina M. S. Gustafsson, Katarina Färnegårdh, Nadilly Bonagas, et al. Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination
Nature Communications
2018
Per E. M. Siegbahn The S-2 to S-3 transition for water oxidation in PSII (photosystem II), revisited
Physical Chemistry, Chemical Physics - PCCP
2018
Wangchuk Rabten The Use of N,P-Iridium and N,P-Palladium Complexes in Asymmetric Synthesis 2018
Angela van der Werf Transformations of Nitrosoarenes and Alkynyl Enones : Selective Synthesis of Nitrogen-Containing Compounds 2018
Piret Villo, Gabriella Kervefors, Berit Olofsson Transition metal-free, chemoselective arylation of thioamides yielding aryl thioimidates or N-aryl thioamides
Chemical Communications
2018
Cristiana Margarita, Wangchuk Rabten, Pher G. Andersson Transition-Metal-Catalyzed Regioselective Asymmetric Mono-Hydrogenation of Dienes and Polyenes
Chemistry - A European Journal
2018
Sunisa Akkarasamiyo, Supaporn Sawadjoon, Andreas Orthaber, et al. Tsuji-Trost Reaction of Non-Derivatized Allylic Alcohols
Chemistry - A European Journal
2018
Mojgan Heshmat Unraveling the Origin of Solvent Induced Enantioselectivity in the Henry Reaction with Cinchona Thiourea as Catalyst
Journal of Physical Chemistry A
2018
Ivan Kumaniaev, Joseph S. M. Samec Valorization of Quercus suber Bark toward Hydrocarbon Bio-Oil and 4-Ethylguaiacol
ACS sustainable chemistry and engineering
2018
Marta Vico Solano, Greco González Miera, Vlad Pascanu, et al. Versatile Heterogeneous Palladium Catalysts for Diverse Carbonylation Reactions under Atmospheric Carbon Monoxide Pressure
ChemCatChem
2018
Mojgan Heshmat, Timofei Privalov Water and a Borohydride/Hydronium Intermediate in the Borane-Catalyzed Hydrogenation of Carbonyl Compounds with H-2 in Wet Ether : A Computational Study
Journal of Physical Chemistry B
2018

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