Michael Bühl

发表

Vibrational corrections to geometries of transition metal complexes from density functional theory

Mark P. Waller, Michael Bühl, M. Waller, 2007, J. Comput. Chem..

Inter‐ and intramolecular CF···co interactions on aliphatic and cyclohexane carbonyl derivatives

Roberto Rittner, Michael Bühl, Rodrigo A. Cormanich, 2016, J. Comput. Chem..

Theoretical study of a vanadate peptide complex

Michael Bühl, 1999, J. Comput. Chem..

Theoretical investigations of NMR chemical shifts and reactivities of oxovanadium(v) compounds

Fred A. Hamprecht, Michael Bühl, 1998, J. Comput. Chem..

The DFT route to NMR chemical shifts

Martin Kaupp, Olga L. Malkina, Vladimir G. Malkin, 1999, J. Comput. Chem..

Can Large Fullerenes Be Spherical

Walter Thiel, Michael Bühl, Dirk Bakowies, 1995 .

Interaction energies and NMR chemical shifts of noble gases in C60

Walter Thiel, Serguei Patchkovskii, Michael Bühl, 1997 .

Density Functional Study of Interactions between Fluorinated Cyclohexanes and Arenes

Roberto Rittner, Michael Bühl, Alastair J. Durie, 2014 .

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

Frank Neese, Thomas Bredow, Michael Bühl, 2008, Journal of chemical theory and computation.

Geometries of Transition-Metal Complexes from Density-Functional Theory.

Michael Bühl, M. Bühl, H. Kabrede, 2006, Journal of chemical theory and computation.

Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory.

Michael Bühl, Mark P Waller, M. Waller, 2007, Journal of chemical theory and computation.

Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues

Walter Thiel, Michael Bühl, Andreas Hirsch, 2001 .

Ab initio helium NMR chemical shifts of endohedral fullerene compounds He@Cn (n = 32−180)

Walter Thiel, Michael Bühl, W. Thiel, 1995 .

Laccase Redox Potentials: pH Dependence and Mutants, a QM/MM Study.

Michael Bühl, M. Bühl, J. Götze, 2016, The journal of physical chemistry. B.

Mechanism of olefin metathesis with catalysis by ruthenium carbene complexes: density functional studies on model systems.

Walter Thiel, Michael Bühl, W. Thiel, 2002, Chemistry.

Chemical shifts of diamagnetic azafullerenes: (C59N)2 and C59HN

Alessandro Curioni, Wanda Andreoni, Michael Bühl, 1997 .

Insights into structure and redox potential of lignin peroxidase from QM/MM calculations.

Michael Bühl, M. Bühl, J. Götze, 2016, Organic & biomolecular chemistry.

A density functional study on the shape of C180 and C240 fullerenes

Walter Thiel, Michael Bühl, Dirk Bakowies, 1995 .

Theoretical characterization of the transition structure for an SN2 reaction at neutral nitrogen

Henry F. Schaefer, Michael Bühl, 1993 .