Lothar Schaefer

Importance of correlation-gradient geometry optimization for molecular conformational analyses

Regina F. Frey, James M. Coffin, Susan Q. Newton et al. · Journal of the American Chemical Society · 1992 · 192 citations

Natural Sciences, Chemistry, Computational Chemistry +8

Theory versus experiment: the case of glycine

Lothar Schaefer, Harrell Sellers, F. J. Lovas et al. · Journal of the American Chemical Society · 1980 · 156 citations

Pharmacy, Chemical Biology, Analytical Chemistry +4

Ab initio studies of molecular geometries. 27. Optimized molecular structures and conformational analysis of N.alpha.-acetyl-N-methylalaninamide and comparison with peptide crystal data and empirical calculations

J.N. Scarsdale, Christian Van Alsenoy, Valentine J. Klimkowski et al. · Journal of the American Chemical Society · 1983 · 148 citations

Natural Sciences, Biochemistry, Chemistry +14

Structure determination of 1-butene by gas electron diffraction, microwave spectroscopy, molecular mechanics, and molecular orbital constrained electron diffraction

D. Van Hemelrijk, L. Van Den Enden, H. J. Geise et al. · Journal of the American Chemical Society · 1980 · 131 citations

Natural Sciences, Chemistry, Physics +17

Molecular orbital constrained electron diffraction studies. 4. Conformational analysis of the methyl ester of glycine

Valentine J. Klimkowski, John D. Ewbank, Christian Van Alsenoy et al. · Journal of the American Chemical Society · 1982 · 127 citations

Natural Sciences, Biochemistry, Chemistry +15