Paul von Ragué Schleyer

19 papers Journal 19
YearRankTypeTitle / Venue / Authors
2014 J jnl
Bay-type H···H "bonding" in cis-2-butene and related species: QTAIM versus NBO description.
J. Comput. Chem.
Frank Weinhold, Paul von Ragué Schleyer, William Chadwick McKee
2008 J jnl
Insertion of C
J. Comput. Chem.
Zhen Zhou, Jijun Zhao, Paul von Ragué Schleyer, Zhongfang Chen
2007 J jnl
The existence of secondary orbital interactions.
J. Comput. Chem.
Chaitanya S. Wannere, Ankan Paul, Rainer Herges, Kendall N. Houk, Henry F. Schaefer III, Paul von Ragué Schleyer
2003 J jnl
The structure and stability of Si60 and Ge60 cages: A computational study.
J. Comput. Chem.
Zhongfang Chen, Haijun Jiao, Gotthard Seifert, Anselm H. C. Horn, Dengke Yu, Timothy Clark, Walter Thiel, Paul von Ragué Schleyer
2001 J jnl
An appreciation.
J. Comput. Chem.
Paul von Ragué Schleyer
1998 J jnl
Molecular mechanics and ab initio calculations on cyclopentadienyl cations.
J. Comput. Chem.
Bernd Reindl, Paul von Ragué Schleyer
1998 J jnl
Structure and stability of B+13 clusters.
J. Comput. Chem.
Feng Long Gu, Xiaomei Yang, Au-Chin Tang, Haijun Jiao, Paul von Ragué Schleyer
1997 J jnl
Empirical force field and ab initio calculations on allyl cations.
J. Comput. Chem.
Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer
1997 J jnl
Empirical force-field and ab initio calculations on delocalized open chain cations.
J. Comput. Chem.
Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer
1997 J jnl
NMR chemical shielding surface of N-Acetyl-N-Methylalaninamide: A density functional study.
J. Comput. Chem.
Horst M. Sulzbach, George Vacek, Peter R. Schreiner, John Morrison Galbraith, Paul von Ragué Schleyer, Henry F. Schaefer III
1996 J jnl
A new method for empirical force field calculations on localized and delocalized carbocations.
J. Comput. Chem.
Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer
1996 J jnl
Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene.
J. Comput. Chem.
Ramón López, José A. Sordo, Tomás Luis Sordo, Paul von Ragué Schleyer
1995 J jnl
Is the Stereomutation of Methane Possible?
J. Comput. Chem.
Melanie J. M. Pepper, Isaiah Shavitt, Paul von Ragué Schleyer, Mikhail N. Glukhovtsev, Rudolf Janoschek, Martin Quack
1995 J jnl
Theoretical Investigation of the Relative Stabilites of XSSX and X
J. Comput. Chem.
Friedrich Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer
1994 J jnl
Structures and Stabilization Energies of Methyl Anions with Main Group Stubstituens from the First Five Periods.
J. Comput. Chem.
Ahmed M. El-Nahas, Paul von Ragué Schleyer
1994 J jnl
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.
Andrea Dorigo, Paul von Ragué Schleyer, Pavel Hobza
1993 J jnl
Editorial.
J. Comput. Chem.
Norman L. Allinger, Paul von Ragué Schleyer
1993 J jnl
Is tetrahedral H
J. Comput. Chem.
Mikhail N. Glukhovtsev, Paul von Ragué Schleyer, Nicolaas J. R. van Eikema Hommes, Jose Walkimar De M. Carneiro, Wolfram Koch
1988 J jnl
Application of semi-empirical and ab initio quantum mechanical calculations.
J. Comput. Aided Mol. Des.
Paul von Ragué Schleyer