Paul von Ragué Schleyer

Publication Activity (10 Years)

Years Active: 1988-2014
Publications (10 Years): 0

Top Topics

Probabilistic Model

Learning Environment

Top Venues

J. Comput. Chem.

Publications

Frank Weinhold, Paul von Ragué Schleyer, William Chadwick McKee
Bay-type H···H "bonding" in cis-2-butene and related species: QTAIM versus NBO description. J. Comput. Chem. 35 (20) (2014)
Zhen Zhou, Jijun Zhao, Paul von Ragué Schleyer, Zhongfang Chen
isomers. J. Comput. Chem. 29 (5) (2008)
Chaitanya S. Wannere, Ankan Paul, Rainer Herges, K. N. Houk, Henry F. Schaefer III, Paul von Ragué Schleyer
The existence of secondary orbital interactions. J. Comput. Chem. 28 (1) (2007)
Zhongfang Chen, Haijun Jiao, Gotthard Seifert, Anselm H. C. Horn, Dengke Yu, Timothy Clark, Walter Thiel, Paul von Ragué Schleyer
The structure and stability of Si60 and Ge60 cages: A computational study. J. Comput. Chem. 24 (8) (2003)
Paul von Ragué Schleyer
An appreciation. J. Comput. Chem. 22 (13) (2001)
Bernd Reindl, Paul von Ragué Schleyer
Molecular mechanics and ab initio calculations on cyclopentadienyl cations. J. Comput. Chem. 19 (12) (1998)
Feng Long Gu, Xiaomei Yang, Au-Chin Tang, Haijun Jiao, Paul von Ragué Schleyer
Structure and stability of B+13 clusters. J. Comput. Chem. 19 (2) (1998)
Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer
Empirical force-field and ab initio calculations on delocalized open chain cations. J. Comput. Chem. 18 (1) (1997)
Horst M. Sulzbach, George Vacek, Peter R. Schreiner, John Morrison Galbraith, Paul von Ragué Schleyer, Henry F. Schaefer III
NMR chemical shielding surface of N-Acetyl-N-Methylalaninamide: A density functional study. J. Comput. Chem. 18 (1) (1997)
Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer
Empirical force field and ab initio calculations on allyl cations. J. Comput. Chem. 18 (4) (1997)
Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer
A new method for empirical force field calculations on localized and delocalized carbocations. J. Comput. Chem. 17 (12) (1996)
Ramón López, José A. Sordo, Tomás Luis Sordo, Paul von Ragué Schleyer
Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene. J. Comput. Chem. 17 (7) (1996)
F. Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer
. J. Comput. Chem. 16 (4) (1995)
Melanie J. M. Pepper, Isaiah Shavitt, Paul von Ragué Schleyer, Mikhail N. Glukhovtsev, Rudolf Janoschek, Martin Quack
Is the Stereomutation of Methane Possible? J. Comput. Chem. 16 (2) (1995)
Andrea Dorigo, Paul von Ragué Schleyer, Pavel Hobza
The Structures of LiNC, NaNC, and KNC: Potential Energy Surface for the Orbiting Motion of the Metal Cation around the CN Group. J. Comput. Chem. 15 (3) (1994)
Ahmed M. El-Nahas, Paul von Ragué Schleyer
Structures and Stabilization Energies of Methyl Anions with Main Group Stubstituens from the First Five Periods. J. Comput. Chem. 15 (6) (1994)
Dietmar Heidrich, Nicolaas J. R. van Eikema Hommes, Paul von Ragué Schleyer
models for multiple-hydrogen exchange: Comparison of cyclic four- and six-center systems. J. Comput. Chem. 14 (10) (1993)
Mikhail N. Glukhovtsev, Paul von Ragué Schleyer, Nicolaas J. R. van Eikema Hommes, Jose Walkimar De M. Carneiro, Wolfram Koch
exponents on hydrogen. J. Comput. Chem. 14 (3) (1993)
Norman L. Allinger, Paul von Ragué Schleyer
Editorial. J. Comput. Chem. 14 (1) (1993)
Peng Wang, Yala Zhang, Rainer Glaser, Andrew Streitwieser, Paul von Ragué Schleyer
calculations on phosphorus compounds. II. Effects of disubstitution on ligand apicophilicity in phosphoranes. J. Comput. Chem. 14 (5) (1993)
Paul von Ragué Schleyer
Application of semi-empirical and ab initio quantum mechanical calculations. J. Comput. Aided Mol. Des. 2 (3) (1988)