Search Results - "Buehl, Michael" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Molecular mechanism of activation of human musk receptors OR5AN1 and OR1A1 by (R)-muscone and diverse other musk-smelling compounds

Molecular mechanism of activation of human musk receptors OR5AN1 and OR1A1 by (R)-muscone and diverse other musk-smelling compounds

by Ahmed, Lucky, Zhang, Yuetian, Block, Eric, Buehl, Michael, Corr, Michael J., Cormanich, Rodrigo A., Gundala, Sivaji, Matsunami, Hiroaki, O’Hagan, David, Ozbil, Mehmet, Pan, Yi, Sekharan, Sivakumar, Ten, Nicholas, Wang, Mingan, Yang, Mingyan, Zhang, Qingzhi, Zhang, Ruina, Batista, Victor S., Zhuang, Hanyi
Published in Proceedings of the National Academy of Sciences - PNAS (24.04.2018)

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Application and evaluation of ab initio chemical shift calculations for boranes and carboranes. How reliable are "accurate" experimental structures?

Application and evaluation of ab initio chemical shift calculations for boranes and carboranes. How reliable are "accurate" experimental structures?

by Buehl, Michael, Schleyer, Paul v. R
Published in Journal of the American Chemical Society (01.01.1992)

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Geometries of Transition-Metal Complexes from Density-Functional Theory

Geometries of Transition-Metal Complexes from Density-Functional Theory

by Bühl, Michael, Kabrede, Hendrik
Published in Journal of chemical theory and computation (01.09.2006)

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Design of a Highly Active Pd Catalyst with P,N Hemilabile Ligands for Alkoxycarbonylation of Alkynes and Allenes: A Density Functional Theory Study

Design of a Highly Active Pd Catalyst with P,N Hemilabile Ligands for Alkoxycarbonylation of Alkynes and Allenes: A Density Functional Theory Study

by Ahmad, Shahbaz, Bühl, Michael
Published in Chemistry : a European journal (06.09.2019)

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Hydricity of 3d Transition Metal Complexes from Density Functional Theory: A Benchmarking Study

Hydricity of 3d Transition Metal Complexes from Density Functional Theory: A Benchmarking Study

by Goodfellow, Alister S., Bühl, Michael
Published in Molecules (Basel, Switzerland) (03.07.2021)

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Hydrogen Generation from Alcohols Catalyzed by Ruthenium−Triphenylphosphine Complexes: Multiple Reaction Pathways

Hydrogen Generation from Alcohols Catalyzed by Ruthenium−Triphenylphosphine Complexes: Multiple Reaction Pathways

by Sieffert, Nicolas, Bühl, Michael
Published in Journal of the American Chemical Society (16.06.2010)

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Systematic Evaluation of Modern Density Functional Methods for the Computation of NMR Shifts of 3d Transition-Metal Nuclei

Systematic Evaluation of Modern Density Functional Methods for the Computation of NMR Shifts of 3d Transition-Metal Nuclei

by Schattenberg, Caspar Jonas, Lehmann, Morten, Bühl, Michael, Kaupp, Martin
Published in Journal of chemical theory and computation (11.01.2022)

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Noncovalent Interactions in a Transition-Metal Triphenylphosphine Complex: a Density Functional Case Study

Noncovalent Interactions in a Transition-Metal Triphenylphosphine Complex: a Density Functional Case Study

by Sieffert, Nicolas, Bühl, Michael
Published in Inorganic chemistry (01.06.2009)

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Insights into Uranyl Chemistry from Molecular Dynamics Simulations

Insights into Uranyl Chemistry from Molecular Dynamics Simulations

by Bühl, Michael, Wipff, Georges
Published in Chemphyschem (09.12.2011)

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Manganese-Catalyzed Dehydrogenative Synthesis of Urea Derivatives and Polyureas

Manganese-Catalyzed Dehydrogenative Synthesis of Urea Derivatives and Polyureas

by Owen, Aniekan Ekpenyong, Preiss, Annika, McLuskie, Angus, Gao, Chang, Peters, Gavin, Bühl, Michael, Kumar, Amit
Published in ACS catalysis (17.06.2022)

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Helium and Lithium NMR Chemical Shifts of Endohedral Fullerene Compounds: An ab Initio Study

Helium and Lithium NMR Chemical Shifts of Endohedral Fullerene Compounds: An ab Initio Study

by Buehl, Michael, Thiel, Walter, Jiao, Haijun, Schleyer, Paul v. R, Saunders, Martin, Anet, Frank A. L
Published in Journal of the American Chemical Society (01.06.1994)

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Manganese catalysed enantioselective hydrogenation of in situ -synthesised imines: efficient asymmetric synthesis of amino-indane derivatives

Manganese catalysed enantioselective hydrogenation of in situ -synthesised imines: efficient asymmetric synthesis of amino-indane derivatives

by Oates, Conor L., Goodfellow, Alister S., Bühl, Michael, Clarke, Matthew L.
Published in Green chemistry : an international journal and green chemistry resource : GC (22.05.2023)

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Palladium-catalysed methoxycarbonylation of ethene with bidentate diphosphine ligands: a density functional theory study

Palladium-catalysed methoxycarbonylation of ethene with bidentate diphosphine ligands: a density functional theory study

by Ahmad, Shahbaz, Crawford, L. Ellis, Bühl, Michael
Published in Physical chemistry chemical physics : PCCP (14.11.2020)

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Computational Insights into the Catalytic Mechanism of Is‐PETase: An Enzyme Capable of Degrading Poly(ethylene) Terephthalate

Computational Insights into the Catalytic Mechanism of Is‐PETase: An Enzyme Capable of Degrading Poly(ethylene) Terephthalate

by Shrimpton‐Phoenix, Eugene, Mitchell, John B. O., Bühl, Michael
Published in Chemistry : a European journal (15.12.2022)

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Janus Face All-cis1,2,4,5-tetrakis(trifluoromethyl)- and All-cis1,2,3,4,5,6-hexakis(trifluoromethyl)- Cyclohexanes

Janus Face All-cis1,2,4,5-tetrakis(trifluoromethyl)- and All-cis1,2,3,4,5,6-hexakis(trifluoromethyl)- Cyclohexanes

by Yu, Cihang, Kuett, Agnes, Roeschenthaler, Gerd-Volker, Lebl, Tomas, Cordes, David B., Slawin, Alexandra M. Z., Buehl, Michael, O'Hagan, David
Published in Angewandte Chemie International Edition (02.11.2020)

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Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,-trifluorocyclopropane motif

Fluorinated cyclopropanes: synthesis and chemistry of the aryl α,β,-trifluorocyclopropane motif

by Thomson, Connor J., Zhang, Qingzhi, Al-Maharik, Nawaf, Buehl, Michael, Cordes, David B., Slawin, Alexandra M. Z., O'Hagan, David
Published in Chemical communications (Cambridge, England) (04.08.2018)

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Uncovering the Mechanism of Homogeneous Methyl Methacrylate Formation with P,N Chelating Ligands and Palladium: Favored Reaction Channels and Selectivities

Uncovering the Mechanism of Homogeneous Methyl Methacrylate Formation with P,N Chelating Ligands and Palladium: Favored Reaction Channels and Selectivities

by Crawford, Luke, Cole-Hamilton, David J, Bühl, Michael
Published in Organometallics (26.01.2015)

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Electrochemical Activation Applied to Perovskite Titanate Fibers to Yield Supported Alloy Nanoparticles for Electrocatalytic Application

Electrochemical Activation Applied to Perovskite Titanate Fibers to Yield Supported Alloy Nanoparticles for Electrocatalytic Application

by Xu, Min, Liu, Chencheng, Naden, Aaron B., Früchtl, Herbert, Bühl, Michael, Irvine, John T. S.
Published in Small (Weinheim an der Bergstrasse, Germany) (01.01.2023)

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Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory

Geometries of Third-Row Transition-Metal Complexes from Density-Functional Theory

by Bühl, Michael, Reimann, Christoph, Pantazis, Dimitrios A, Bredow, Thomas, Neese, Frank
Published in Journal of chemical theory and computation (09.09.2008)

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Structure of lithium isodicyclopentadienide and lithium cyclopentadienide in tetrahydrofuran solution. A combined NMR, IGLO, and MNDO study

Structure of lithium isodicyclopentadienide and lithium cyclopentadienide in tetrahydrofuran solution. A combined NMR, IGLO, and MNDO study

by Paquette, Leo A, Bauer, Walter, Sivik, Mark R, Buehl, Michael, Feigel, Martin, Schleyer, Paul v. R
Published in Journal of the American Chemical Society (01.11.1990)

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