NMR chemical shielding surface of N-Acetyl-N-Methylalaninamide: A density functional study. - Horst M. Sulzbach; George Vacek; Peter R. Schreiner; John Morrison Galbraith; Paul von Ragué Schleyer; Henry F. Schaefer III (J. Comput. Chem., 1997)

Substituent effects on the Bergman cyclization of (Z)-1, 5-hexadiyne-3-enes: a systematic computational study. - Matthias Prall; Alexander Wittkopp; Andrey A. Fokin; Peter R. Schreiner (J. Comput. Chem., 2001)

New paint and a new engine. - Charles L. Brooks III; Masahiro Ehara; Gernot Frenking; Peter R. Schreiner (J. Comput. Chem., 2013)

Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures. - Amir Karton; Peter R. Schreiner; Jan M. L. Martin (J. Comput. Chem., 2016)

TUNNEX: An easy-to-use wentzel-kramers-brillouin (WKB) implementation to compute tunneling half-lives. - Henrik Quanz; Peter R. Schreiner (J. Comput. Chem., 2019)

Insights into molecular cluster materials with adamantane-like core structures by considering dimer interactions. - Sebastian Schwan; Andreas J. Achazi; Ferdinand Ziese; Peter R. Schreiner; Kerstin Volz; Stefanie Dehnen; Simone Sanna; Doreen Mollenhauer (J. Comput. Chem., 2023)