Frank Terstegen

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

Paul Sherwood, Alex H. de Vries, Martyn F. Guest et al. · Journal of Molecular Structure THEOCHEM · 2003 · 1K citations

Chemical Engineering, Engineering, Industrial Catalysis +12

Absolute Sense of Twist of the C12-C13 Bond of the Retinal Chromophore in Rhodopsin—Semiempirical and Nonempirical Calculations of Chiroptical Data

Volker Buß, Klaus Kolster, Frank Terstegen et al. · Angewandte Chemie International Edition · 1998 · 59 citations

Nonempirical Calculations, Visual Pigment Rhodopsin, Photoreceptor Cell +13

Remarkably Large Geometry Dependence of57Fe NMR Chemical Shifts

Frank T. Mauschick, Frank Terstegen, Bernd Wrackmeyer · Angewandte Chemie International Edition · 2002 · 48 citations

Inorganic Chemistry, Physics, Gas Phase +14

On the Mechanism and Stereoselectivity of the Copper(I)-Catalyzed Cyclopropanation of Olefins − A Combined Experimental and Density Functional Study

Frank Terstegen, Frank E. Löffler, B. Meynhardt et al. · European Journal of Organic Chemistry · 2001 · 45 citations

Density Functional Study, Chemical Engineering, Engineering +11

Enzymatic Reactions of Triosephosphate Isomerase:  A Theoretical Calibration Study

Christian Lennartz, Ansgar Schäfer, Frank Terstegen et al. · The Journal of Physical Chemistry B · 2002 · 45 citations

Molecular Mechanical, Proton-coupled Electron Transfer, Computational Chemistry +16