S. Brode

发表

Oxygen and Nitrogen in Competitive Situations: Which is the Hydrogen‐Bond Acceptor?

Gerhard Klebe, Hans-Joachim Böhm, G. Klebe, 1996 .

A new rigid motion algorithm for MD simulations

Stefan Brode, R. Ahlrichs, Reinhart Ahlrichs, 1986 .

Intermolecular potentials for ammonia based on the test particle model and the coupled pair functional method

R. Ahlrichs, K. Sagarik, S. Brode, 1986 .

Excess thermodynamic properties of liquid mixtures of methane and perfluoromethane

I. R. Mcdonald, S. Brode, 1988 .

Hydrogenation without a Metal Catalyst: An ab Initio Study on the Mechanism of the Metal-Free Hydrogenase from Methanobacterium thermoautotrophicum

A. Berkessel, J. Teles, S. Brode, 1998 .

Interaction potentials for alkali ion–rare gas and halogen ion–rare gas systems

H. Böhm, R. Ahlrichs, K. Tang, 1988 .

Electronic structure and bonding in the ground state of Cu2

R. Ahlrichs, S. Brode, P. Scharf, 1985 .

Zinc Silicates: Very Efficient Heterogeneous Catalysts for the Addition of Primary Alcohols to Alkynes and Allenes.

A. Schäfer, D. Demuth, J. Teles, 1999, Angewandte Chemie.

Cationic Gold(I) Complexes: Highly Efficient Catalysts for the Addition of Alcohols to Alkynes.

J. Teles, S. Brode, M. Chabanas, 1998, Angewandte Chemie.

Cationic Gold(I) Complexes: Highly Efficient Catalysts for the Addition of Alcohols to Alkynes.

J. Teles, S. Brode, M. Chabanas, 1998, Angewandte Chemie.

Octupole Moments of CH4, CF4, CCl4 and SiH4

R. Ahlrichs, C. Kölmel, S. Brode, 1987 .

Preparation, Structure, and Reactivity of 1,3,4-Triphenyl-4,5-dihydro-1H-1,2,4-triazol-5-ylidene, a New Stable Carbene†

D. Enders, G. Raabe, J. Teles, 1995 .

The Chemistry of Stable Carbenes. Part 2. Benzoin‐type condensations of formaldehyde catalyzed by stable carbenes

D. Enders, G. Raabe, J. Teles, 1996 .

The Chemistry of Stable Carbenes. Part 2. Benzoin‐Type Condensations of Formaldehyde Catalyzed by Stable Carbenes.

D. Enders, G. Raabe, J. Teles, 1996 .

Diastereoselective Synthesis of Chiral (Triazolinylidene)rhodium Complexes Containing an Axis of Chirality

D. Enders, K. Breuer, S. Brode, 1998 .

Docking of a polymer chain on a surface with Monte Carlo methods illustrated by polyimide on silicon

E. Hädicke, S. Brode, 1993 .

Trithiometaphosphate PS 3−—an Anion with Phosphorus of Coordination Number 3

R. Ahlrichs, H. Roesky, S. Brode, 1986 .

Erratum: Interaction potentials for alkali ion‐rare gas and halogen ion‐rare gas systems [J. Chem. Phys. 88, 6290 (1988)]

H. Böhm, R. Ahlrichs, K. Tang, 1993 .

Theoretical study of the stability of molecular P2, P4 (T.alpha.), and P8 (Oh)

R. Ahlrichs, C. Ehrhardt, S. Brode, 1985 .

Computing the location and energetics of organic molecules in microporous adsorbents and catalysts: a hybrid approach applied to isometric butenes in a model zeolite

C. Catlow, C. Freeman, John Meurig Thomas, 1991 .

The structure of C2H4 clusters from theoretical interaction potentials and vibrational predissociation data

R. Ahlrichs, B. Schmidt, U. Buck, 1990 .

Parallel direct SCF and gradient program for workstation clusters

Stefan Brode, Hans Horn, Reinhart Ahlrichs, 1993, J. Comput. Chem..

An optimized MD program for the vector computer cyber 205

Stefan Brode, Reinhart Ahlrichs, R. Ahlrichs, 1986 .

Ab initio SCF calculations on low‐energy conformers of cyclohexaglycine

Stefan Brode, Hans-Joachim Böhm, H. Böhm, 1995, J. Comput. Chem..

Ab initio SCF calculations on low-energy conformers of N-acetyl-N'-methylalaninamide and N-acetyl-N'-methylglycinamide

Stefan Brode, Hans Joachim Boehm, H. Boehm, 1991 .