Michael Bűhl (M Bühl, Michael Bühl)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 27

Top Topics

Density Functional Theory

Breast Cancer Cells

Endoplasmic Reticulum

Editorial Comment

Top Venues

Chemical science

Physical chemistry chemical physics : PCCP

Inorganic chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

This page only lists publications with an associated author ORCID identifier.

Publications

Aífe Conboy, Alister S Goodfellow, Kevin Kasten, Joanne Dunne, David Bradford Cordes, Michael Bűhl, Andrew David Smith
De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition. Chemical science 15 (23) (2024)
Ipek Munar, Melike Özkan Özer, Edoardo Fusco, Deniz Üner, Viktorya Aviyente, Michael Bűhl
Dissociation of HNO 3 in water revisited: experiment and theory. Physical chemistry chemical physics : PCCP (2024)
James Luk, Alister S Goodfellow, Nachiket Deepak More, Michael Bűhl, Amit Kumar
Exploiting decarbonylation and dehydrogenation of formamides for the synthesis of ureas, polyureas, and poly(urea-urethanes). Chemical science (2024)
Aífe Conboy, Alister S Goodfellow, Kevin Kasten, Joanne Dunne, David Bradford Cordes, Michael Bűhl, Andrew David Smith
De-epimerizing DyKAT of β-lactones generated by isothiourea-catalysed enantioselective [2 + 2] cycloaddition. Chemical science 15 (23) (2024)
Ipek Munar, Melike Özkan Özer, Edoardo Fusco, Deniz Üner, Viktorya Aviyente, Michael Bűhl
Dissociation of HNO 3 in water revisited: experiment and theory. Physical chemistry chemical physics : PCCP 26 (23) (2024)
Edoardo Fusco, Sharon E Ashbrook, Michael Bűhl
13 C pNMR shifts of MOFs based on Cu(II)-paddlewheel dimers - DFT predictions for spin-1/2 defects. Physical chemistry chemical physics : PCCP (2023)
Lutao Zhang, Francesca A Christie, Anna E Tarcza, Helena G Lancaster, Laurence J Taylor, Michael Bűhl, Olga L Malkina, J Derek Woollins, Cameron L Carpenter-Warren, David Bradford Cordes, Alexandra M Z Slawin, Brian A Chalmers, Petr Kilian
Phosphine and Selenoether peri -Substituted Acenaphthenes and Their Transition-Metal Complexes: Structural and NMR Investigations. Inorganic chemistry (2023)
Ding Yuan, Alister S Goodfellow, Kevin Kasten, Zhuan Duan, Tengfei Kang, David Bradford Cordes, Aidan P McKay, Michael Bűhl, Gregory R Boyce, Andrew David Smith
Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters. Chemical science 14 (48) (2023)
Anna E Tarcza, Alexandra M Z Slawin, Cameron L Carpenter-Warren, Michael Bűhl, Petr Kilian, Brian A Chalmers
Constrained Phosphine Chalcogenide Selenoethers Supported by peri -Substitution. Molecules (Basel, Switzerland) 28 (21) (2023)
Ding Yuan, Alister S Goodfellow, Kevin Kasten, Zhuan Duan, Tengfei Kang, David Bradford Cordes, Aidan P McKay, Michael Bűhl, Gregory R Boyce, Andrew David Smith
Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters. Chemical science 14 (48) (2023)
Michael Bűhl, Tallulah Hutson, Alice Missio, John C Walton
Sulfur and Phosphorus Oxyacid Radicals. The journal of physical chemistry. A 126 (5) (2022)
Eugene Shrimpton-Phoenix, John B O Mitchell, Michael Bűhl
Computational Insights into the Catalytic Mechanism of Is-PETase: An Enzyme Capable of Degrading Poly(ethylene) Terephthalate. Chemistry (Weinheim an der Bergstrasse, Germany) (2022)
Zhipeng Ke, Daniel M Dawson, Sharon E Ashbrook, Michael Bűhl
Origin of the temperature dependence of 13 C pNMR shifts for copper paddlewheel MOFs. Chemical science 13 (9) (2022)
Olga L Malkina, Florian Lemken, James R Asher, Jean-Cyrille Hierso, Michael Bűhl, Vladimir G Malkin
Transmission of spin-polarization by π-orbitals: an approach to assessing its effect on NMR spin-spin coupling and EPR hyperfine structure. Physical chemistry chemical physics : PCCP 24 (39) (2022)
Alister S Goodfellow, Michael Bűhl
Hydricity of 3d Transition Metal Complexes from Density Functional Theory: A Benchmarking Study. Molecules (Basel, Switzerland) 26 (13) (2021)
Liam J R McGeachie, Michael Bűhl, David Bradford Cordes, Alexandra M Z Slawin, J Derek Woollins
Bridging (Thionylimido)metal Complexes. Inorganic chemistry 60 (12) (2021)
Caspar Jonas Schattenberg, Morten Lehmann, Michael Bűhl, Martin Kaupp
Systematic Evaluation of Modern Density Functional Methods for the Computation of NMR Shifts of 3d Transition-Metal Nuclei. Journal of chemical theory and computation 18 (1) (2021)
Rodrigo A Cormanich, Lucas A Zeoly, Hugo Santos, Nilton S Camilo, Michael Bűhl, Fernando Coelho
Origin of the Diastereoselectivity of the Heterogeneous Hydrogenation of a Substituted Indolizine. The Journal of organic chemistry 85 (17) (2020)
Zhen Yao, Manfred Buck, Michael Bűhl
Density Functional Theory Study of Pd Aggregation on a Pyridine-Terminated Self-Assembled Monolayer. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (46) (2020)
Phillip S Nejman, Thomasine E Curzon, Michael Bűhl, David McKay, J Derek Woollins, Sharon E Ashbrook, David Bradford Cordes, Alexandra M Z Slawin, Petr Kilian
Phosphorus-Bismuth Peri-Substituted Acenaphthenes: A Synthetic, Structural, and Computational Study. Inorganic chemistry 59 (8) (2020)
Cihang Yu, Agnes Kütt, Gerd-Volker Röschenthaler, Tomas Lebl, David Bradford Cordes, Alexandra M Z Slawin, Michael Bűhl, David O'Hagan
Janus Face All-cis 1,2,4,5-tetrakis(trifluoromethyl)- and All-cis 1,2,3,4,5,6-hexakis(trifluoromethyl)- Cyclohexanes. Angewandte Chemie (International ed. in English) 59 (45) (2020)
Sonia Chabbra, D M Smith, Nicola L Bell, Allan J B Watson, Michael Bűhl, David J Cole-Hamilton, Bela Ernest Bode
First experimental evidence for a bis-ethene chromium(I) complex forming from an activated ethene oligomerization catalyst. Science advances 6 (51) (2020)
Onyekachi Raymond, Michael Bűhl, Joseph R Lane, William Henderson, Penelope J Brothers, Paul G Plieger
Ab Initio Molecular Dynamics Investigation of Beryllium Complexes. Inorganic chemistry 59 (4) (2020)
Shahbaz Ahmad, Michael Bűhl
Design of a Highly Active Pd Catalyst with P,N Hemilabile Ligands for Alkoxycarbonylation of Alkynes and Allenes: A Density Functional Theory Study. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (50) (2019)
James J Turner, Michael Bűhl
Infrared Dynamics of Iron Carbonyl Diene Complexes. The journal of physical chemistry. A 122 (14) (2018)
Maicon Delarmelina, Enrico Marelli, José Walkimar de M Carneiro, Steven P Nolan, Michael Bűhl
Mechanism of the Catalytic Carboxylation of Alkylboronates with CO2 Using Ni-NHC Complexes: A DFT Study. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (59) (2017)
Rodrigo A Cormanich, David O'Hagan, Michael Bűhl
Hyperconjugation Is the Source of Helicity in Perfluorinated n-Alkanes. Angewandte Chemie (International ed. in English) 56 (27) (2017)