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

por Goodfellow, Alister S., Bühl, Michael
Publicado 2021

Density Functional Theory Study of Pd Aggregation on a Pyridine‐Terminated Self‐Assembled Monolayer

por Yao, Zhen, Buck, Manfred, Bühl, Michael
Publicado 2020

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

por Shrimpton‐Phoenix, Eugene, Mitchell, John B. O., Bühl, Michael
Publicado 2022

Towards Computational Modeling of Ligand Binding to the ILPR G-Quadruplex

por Zhang, Xiaotong, Barrow, John, van Mourik, Tanja, Bühl, Michael
Publicado 2023

Sulfur and Phosphorus Oxyacid Radicals

por Bühl, Michael, Hutson, Tallulah, Missio, Alice, Walton, John C.
Publicado 2022

Rational Design of a Facially Coordinating P,N,N Ligand for Manganese‐Catalysed Enantioselective Hydrogenation of Cyclic Ketones

por Oates, Conor L., Goodfellow, Alister S., Bühl, Michael, Clarke, Matthew L.
Publicado 2022

Origin of the temperature dependence of (13)C pNMR shifts for copper paddlewheel MOFs

por Ke, Zhipeng, Dawson, Daniel M., Ashbrook, Sharon E., Bühl, Michael
Publicado 2022

Molecular Evolution of Extensively Drug-Resistant (XDR) Pseudomonas aeruginosa Strains From Patients and Hospital Environment in a Prolonged Outbreak

por Buhl, Michael, Kästle, Christina, Geyer, André, Autenrieth, Ingo B., Peter, Silke, Willmann, Matthias
Publicado 2019

Isolable Phosphanylidene Phosphorane with a Sterically Accessible Two-Coordinate Phosphorus Atom**

por Surgenor, Brian A, Bühl, Michael, Slawin, Alexandra M Z, Woollins, J Derek, Kilian, Petr
Publicado 2012

Organofluorine chemistry: Difluoromethylene motifs spaced 1,3 to each other imparts facial polarity to a cyclohexane ring

por Jones, Mathew J, Callejo, Ricardo, Slawin, Alexandra M Z, Bühl, Michael, O'Hagan, David
Publicado 2016

Origin of the Diastereoselectivity of the Heterogeneous Hydrogenation of a Substituted Indolizine

por Cormanich, Rodrigo A., Zeoly, Lucas A., Santos, Hugo, Camilo, Nilton S., Bühl, Michael, Coelho, Fernando
Publicado 2020

Correction to “Manganese Catalyzed Dehydrogenative Synthesis of Urea Derivatives and Polyureas”

por Owen, Aniekan Ekpenyong, Preiss, Annika, McLuskie, Angus, Gao, Chang, Peters, Gavin, Bühl, Michael, Kumar, Amit
Publicado 2023

Constrained Phosphine Chalcogenide Selenoethers Supported by peri-Substitution

por Tarcza, Anna E., Slawin, Alexandra M. Z., Carpenter-Warren, Cameron L., Bühl, Michael, Kilian, Petr, Chalmers, Brian A.
Publicado 2023

Clinical and treatment-related risk factors for nosocomial colonisation with extensively drug-resistant Pseudomonas aeruginosa in a haematological patient population: a matched cas...

por Willmann, Matthias, Klimek, Anna M, Vogel, Wichard, Liese, Jan, Marschal, Matthias, Autenrieth, Ingo B, Peter, Silke, Buhl, Michael
Publicado 2014

Factors influencing the contamination rates of the conjunctival swabs and organ culture media of human donor eyes

por Röck, Tobias, Landenberger, Johanna, Buhl, Michael, Yoeruek, Efdal, Bartz-Schmidt, Karl Ulrich, Bramkamp, Matthias, Blumenstock, Gunnar, Röck, Daniel
Publicado 2018

Formation of metallacarboxylic acids through Hieber base reaction. A density functional theory study

por Ahmad, Shahbaz, Berry, Elisabeth A., Boyle, Conor H., Hudson, Christopher G., Ireland, Oliver W., Thompson, Emily A., Bühl, Michael
Publicado 2019

Analysis of the challenges in implementing guidelines to prevent the spread of multidrug-resistant gram-negatives in Europe

por Tacconelli, Evelina, Buhl, Michael, Humphreys, Hilary, Malek, Veronika, Presterl, Elisabeth, Rodriguez-Baño, Jesús, Vos, Margreet C, Zingg, Walter, Mutters, Nico T
Publicado 2019

Isothiourea-Catalyzed Enantioselective Michael Addition of Malonates to α,β-Unsaturated Aryl Esters

por Wu, Jiufeng, Young, Claire M., Watts, Amy A., Slawin, Alexandra M. Z., Boyce, Gregory R., Bühl, Michael, Smith, Andrew D.
Publicado 2022

Janus Face All‐cis 1,2,4,5‐tetrakis(trifluoromethyl)‐ and All‐cis 1,2,3,4,5,6‐hexakis(trifluoromethyl)‐ Cyclohexanes

por Yu, Cihang, Kütt, Agnes, Röschenthaler, Gerd‐Volker, Lebl, Tomas, Cordes, David B., Slawin, Alexandra M. Z., Bühl, Michael, O'Hagan, David
Publicado 2020

Weak Te, Te Interactions through the Looking Glass of NMR Spin–Spin Coupling**

por Bühl, Michael, Knight, Fergus R, Křístková, Anezka, Malkin Ondík, Irina, Malkina, Olga L, Randall, Rebecca A M, Slawin, Alexandra M Z, Woollins, J Derek
Publicado 2013