Paul von Ragué Schleyer

According to our database, Paul von Ragué Schleyer authored at least 21 papers between 1988 and 2014.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2014

Bay-type H···H "bonding" in cis-2-butene and related species: QTAIM versus NBO description.

Frank Weinhold, Paul von Ragué Schleyer, William Chadwick McKee

J. Comput. Chem., 2014

2008

Insertion of C₅₀ into single-walled carbon nanotubes: Selectivity in interwall spacing and C₅₀ isomers.

Zhen Zhou, Jijun Zhao, Paul von Ragué Schleyer, Zhongfang Chen

J. Comput. Chem., 2008

2007

The existence of secondary orbital interactions.

Chaitanya S. Wannere, Ankan Paul, Rainer Herges, Kendall N. Houk, Henry F. Schaefer III, Paul von Ragué Schleyer

J. Comput. Chem., 2007

2003

The structure and stability of Si60 and Ge60 cages: A computational study.

Zhongfang Chen, Haijun Jiao, Gotthard Seifert, Anselm H. C. Horn, Dengke Yu, Timothy Clark, Walter Thiel, Paul von Ragué Schleyer

J. Comput. Chem., 2003

2001

An appreciation.

Paul von Ragué Schleyer

J. Comput. Chem., 2001

1998

Molecular mechanics and ab initio calculations on cyclopentadienyl cations.

Bernd Reindl, Paul von Ragué Schleyer

J. Comput. Chem., 1998

Structure and stability of B+13 clusters.

Feng Long Gu, Xiaomei Yang, Au-Chin Tang, Haijun Jiao, Paul von Ragué Schleyer

J. Comput. Chem., 1998

1997

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

Empirical force field and ab initio calculations on allyl cations.

Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer

J. Comput. Chem., 1997

Empirical force-field and ab initio calculations on delocalized open chain cations.

Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer

J. Comput. Chem., 1997

1996

A new method for empirical force field calculations on localized and delocalized carbocations.

Bernd Reindl, Timothy Clark, Paul von Ragué Schleyer

J. Comput. Chem., 1996

Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene.

Ramón López, José A. Sordo, Tomás Luis Sordo, Paul von Ragué Schleyer

J. Comput. Chem., 1996

1995

Is the Stereomutation of Methane Possible?

Melanie J. M. Pepper, Isaiah Shavitt, Paul von Ragué Schleyer, Mikhail N. Glukhovtsev, Rudolf Janoschek, Martin Quack

J. Comput. Chem., 1995

Theoretical Investigation of the Relative Stabilites of XSSX and X₂SS Isomers (X=F, C1, H, and CH₃.

Friedrich Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer

J. Comput. Chem., 1995

1994

Structures and Stabilization Energies of Methyl Anions with Main Group Stubstituens from the First Five Periods.

Ahmed M. El-Nahas, Paul von Ragué Schleyer

J. Comput. Chem., 1994

The Structures of LiNC, NaNC, and KNC: Potential Energy Surface for the Orbiting Motion of the Metal Cation around the CN Group.

Andrea Dorigo, Paul von Ragué Schleyer, Pavel Hobza

J. Comput. Chem., 1994

1993

<i>Ab initio</i> calculations on phosphorus compounds. II. Effects of disubstitution on ligand apicophilicity in phosphoranes.

Peng Wang, Yala Zhang, Rainer Glaser, Andrew Streitwieser, Paul von Ragué Schleyer

J. Comput. Chem., 1993

<i>Ab initio</i> models for multiple-hydrogen exchange: Comparison of cyclic four- and six-center systems.

Dietmar Heidrich, Nicolaas J. R. van Eikema Hommes, Paul von Ragué Schleyer

J. Comput. Chem., 1993

Is tetrahedral H₄²⁺ a minimum? Anomalous behavior of popular basis sets with the standard <i>p</i> exponents on hydrogen.

Mikhail N. Glukhovtsev, Paul von Ragué Schleyer, Nicolaas J. R. van Eikema Hommes, Jose Walkimar De M. Carneiro, Wolfram Koch

J. Comput. Chem., 1993

Editorial.

Norman L. Allinger, Paul von Ragué Schleyer

J. Comput. Chem., 1993

1988

Application of semi-empirical and ab initio quantum mechanical calculations.

Paul von Ragué Schleyer

J. Comput. Aided Mol. Des., 1988