Michael Buehl
Michael Buehl
Verified email at st-andrews.ac.uk
Title
Cited by
Cited by
Year
Calculation of NMR and EPR Parameters
M Kaupp, M Buhl, VG Malkin
Wiley, 2004
9942004
Spherical aromaticity of fullerenes
M Bühl, A Hirsch
Chemical Reviews 101 (5), 1153-1184, 2001
5872001
Geometries of transition-metal complexes from density-functional theory
M Bühl, H Kabrede
Journal of Chemical Theory and Computation 2 (5), 1282-1290, 2006
5662006
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
4271998
Geometries of third-row transition-metal complexes from density-functional theory
M Buhl, C Reimann, DA Pantazis, T Bredow, F Neese
Journal of chemical theory and computation 4 (9), 1449-1459, 2008
4042008
Synthesis, structure, theoretical studies, and ligand exchange reactions of monomeric, T-shaped arylpalladium (II) halide complexes with an additional, weak agostic interaction
JP Stambuli, CD Incarvito, M Bühl, JF Hartwig
Journal of the American Chemical Society 126 (4), 1184-1194, 2004
3242004
Synthesis, characterization, and reactivity of monomeric, arylpalladium halide complexes with a hindered phosphine as the only dative ligand
JP Stambuli, M Bühl, JF Hartwig
Journal of the American Chemical Society 124 (32), 9346-9347, 2002
3232002
The DFT route to NMR chemical shifts
M Bühl, M Kaupp, OL Malkina, VG Malkin
Journal of computational chemistry 20 (1), 91-105, 1999
3131999
Application and evaluation of ab initio chemical shift calculations for boranes and carboranes. How reliable are" accurate" experimental structures?
M Buehl, PR Schleyer
Journal of the American Chemical Society 114 (2), 477-491, 1992
2311992
Ab initio molecular dynamics of liquid 1, 3-dimethylimidazolium chloride
M Bühl, A Chaumont, R Schurhammer, G Wipff
The Journal of Physical Chemistry B 109 (39), 18591-18599, 2005
2202005
Mechanism of olefin metathesis with catalysis by ruthenium carbene complexes: density functional studies on model systems
SF Vyboishchikov, M Bühl, W Thiel
Chemistry–A European Journal 8 (17), 3962-3975, 2002
2182002
Hydrogen generation from alcohols catalyzed by ruthenium− triphenylphosphine complexes: multiple reaction pathways
N Sieffert, M Bühl
Journal of the American Chemical Society 132 (23), 8056-8070, 2010
2002010
Structure of lithium isodicyclopentadienide and lithium cyclopentadienide in tetrahydrofuran solution. A combined NMR, IGLO, and MNDO study
LA Paquette, W Bauer, MR Sivik, M Buehl, M Feigel, PR Schleyer
Journal of the American Chemical Society 112 (24), 8776-8789, 1990
1921990
The relation between endohedral chemical shifts and local aromaticities in fullerenes
M Bühl
Chemistry–A European Journal 4 (4), 734-739, 1998
1741998
A survey of 51V NMR spectroscopy
D Rehder
Bull. Magn. Reson 4, 33-83, 1982
1711982
Density functional computations of transition metal NMR chemical shifts: dramatic effects of Hartree-Fock exchange
M Bühl
Chemical physics letters 267 (3-4), 251-257, 1997
1631997
Geometries of second-row transition-metal complexes from density-functional theory
MP Waller, H Braun, N Hojdis, M Bühl
Journal of chemical theory and computation 3 (6), 2234-2242, 2007
1612007
The first hexabutadiynylbenzenes: synthesis and structures
JR Green, J Mittendorf, DL Mohler, KPC Vollhardt, R Boese
Angewandte Chemie International Edition in English 31 (12), 1643-1645, 1992
155*1992
Photoswitchable catalysts: correlating structure and conformational dynamics with reactivity by a combined experimental and computational approach
RS Stoll, MV Peters, A Kuhn, S Heiles, R Goddard, M Bühl, CM Thiele, ...
Journal of the American Chemical Society 131 (1), 357-367, 2009
1442009
Noncovalent interactions in a transition-metal triphenylphosphine complex: a density functional case study
N Sieffert, M Bühl
Inorganic chemistry 48 (11), 4622-4624, 2009
1432009
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Articles 1–20