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Paul von Ragué Schleyer

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2008
15EEZhen Zhou, Jijun Zhao, Paul von Ragué Schleyer, Zhongfang Chen: Insertion of C50 into single-walled carbon nanotubes: Selectivity in interwall spacing and C50 isomers. Journal of Computational Chemistry 29(5): 781-787 (2008)
2007
14EEChaitanya S. Wannere, Ankan Paul, Rainer Herges, K. N. Houk, Henry F. Schaefer III, Paul von Ragué Schleyer: The existence of secondary orbital interactions. Journal of Computational Chemistry 28(1): 344-361 (2007)
2003
13EEZhongfang 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. Journal of Computational Chemistry 24(8): 948-953 (2003)
2001
12EEPaul von Ragué Schleyer: An appreciation. Journal of Computational Chemistry 22(13): 9-11 (2001)
1998
11EEBernd Reindl, Paul von Ragué Schleyer: Molecular mechanics and ab initio calculations on cyclopentadienyl cations. Journal of Computational Chemistry 19(12): 1402-1420 (1998)
10EEFeng Long Gu, Xiaomei Yang, Au-Chin Tang, Haijun Jiao, Paul von Ragué Schleyer: Structure and stability of B+13 clusters. Journal of Computational Chemistry 19(2): 203-214 (1998)
1997
9EEHorst 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. Journal of Computational Chemistry 18(1): 126-138 (1997)
8EEBernd Reindl, Timothy Clark, Paul von Ragué Schleyer: Empirical force-field and ab initio calculations on delocalized open chain cations. Journal of Computational Chemistry 18(1): 28-44 (1997)
7EEBernd Reindl, Timothy Clark, Paul von Ragué Schleyer: Empirical force field and ab initio calculations on allyl cations. Journal of Computational Chemistry 18(4): 533-551 (1997)
1996
6EEBernd Reindl, Timothy Clark, Paul von Ragué Schleyer: A new method for empirical force field calculations on localized and delocalized carbocations. Journal of Computational Chemistry 17(12): 1406-1430 (1996)
5EERamón 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. Journal of Computational Chemistry 17(7): 905-909 (1996)
1995
4 Melanie J. M. Pepper, Isaiah Shavitt, Paul von Ragué Schleyer, Mikhail N. Glukhovtsev, Rudolf Janoschek, Martin Quack: Is the Stereomutation of Methane Possible? Journal of Computational Chemistry 16(2): 207-225 (1995)
3 F. Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer: Theoretical Investigation of the Relative Stabilites of XSSX and X2SS Isomers (X=F, C1, H, and CH3. Journal of Computational Chemistry 16(4): 465-477 (1995)
1994
2 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. Journal of Computational Chemistry 15(3): 322-332 (1994)
1 Ahmed M. El-Nahas, Paul von Ragué Schleyer: Structures and Stabilization Energies of Methyl Anions with Main Group Stubstituens from the First Five Periods. Journal of Computational Chemistry 15(6): 596-627 (1994)

Coauthor Index

1F. Matthias Bickelhaupt [3]
2Zhongfang Chen [13] [15]
3Timothy Clark [6] [7] [8] [13]
4Andrea Dorigo [2]
5Ahmed M. El-Nahas [1]
6John Morrison Galbraith [9]
7Mikhail N. Glukhovtsev [4]
8Feng Long Gu [10]
9Rainer Herges [14]
10Pavel Hobza [2]
11Anselm H. C. Horn [13]
12K. N. Houk [14]
13Rudolf Janoschek [4]
14Haijun Jiao [10] [13]
15Ramón López [5]
16Ankan Paul [14]
17Melanie J. M. Pepper [4]
18Martin Quack [4]
19Bernd Reindl [6] [7] [8] [11]
20Henry F. Schaefer III [9] [14]
21Peter R. Schreiner [9]
22Gotthard Seifert [13]
23Isaiah Shavitt [4]
24Miquel Solà [3]
25José A. Sordo [5]
26Tomás Luis Sordo [5]
27Horst M. Sulzbach [9]
28Au-Chin Tang [10]
29Walter Thiel [13]
30George Vacek [9]
31Chaitanya S. Wannere [14]
32Xiaomei Yang [10]
33Dengke Yu [13]
34Jijun Zhao [15]
35Zhen Zhou [15]

Colors in the list of coauthors

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)