Dr. Rainer Oswald

VERÖFFENTLICHUNGEN

 
32. I. S. Lim, P. Botschwina, R. Oswald, V. Barone, H. Stoll and P. Schwerdtfeger

Calculated spectroscopic and electric properties of the alkali metal-ammonia complexes from Kⁿ-NH₃ to Frⁿ-NH₃ (n=0,+1)

J. Chem. Phys., 127, 104313 (2007)
 

31. P. Botschwina, R. Oswald and V. Dyczmons

The proton-bound complex Cl^{- ...} H-CCl₃: a high-level theoretical study

Int. J. Mass Spectrom., 267, 308 (2007)
 

30. C. Hennig, S. Schmatz and R. B. Oswald

Secondary Kinetic Isotope Effect in Nucleophilic Substitution: A Quantum-Mechanical Approach

Journal of Physical Chemistry A, 110(9), 3071 (2006)
 
 

29. L. W. Pineda, V. Jancik, H. W. Roesky and R. B. Oswald
  
Preparation of LGe(Se)OH: A Germanium Analogue of a Selenocarboxylic Acid (L = HC[(CMe)(NAr)]₂ , Ar = 2,6-iPr₂C₆H₃)

Organometallics, 25(9), 2384 (2006)


28. H. Zhu, H. Fan, H. W. Roesky, Q. Ma, Z. Yang, H.-G. Schmidt, M. Noltemeyer, K. Starke, N. S. Hosmane and R. B. Oswald
 
Aluminacyclopropene: Syntheses, Characterization, and Reactivity toward Terminal Alkynes

J. Am. Chem. Soc., 128(15), 5100 (2006)
 
 
27. Z. Yang, X. Ma, H. W. Roesky, C. Cui, H.-G. Schmidt, M. Noltemeyer and R. B. Oswald

An unprecedented example of a heterotrimetallic main-group [L₂Al₂Ge₄Li₂S₇] cluster containing a Gell-Gell donor-acceptor bond

Angewandte Chemie, International Edition, 45(14), 2277 (2006)


26. P. Botschwina and R. Oswald

On the vibrations of linear C₁₁ : a coupled cluster study

Chem. Phys., 325, 485 (2006)


25. Z. Yang, X. Ma, H. W. Roesky, H. Zhu, C. Schulzke, K. Starke, M. Baldus, H.-G. Schmidt, M. Noltemeyer and R. B. Oswald
 
Janus-faced aluminium: A demonstration of unique Lewis acid and Lewis base behavior of the aluminium atom in [LAlB(C₆F₅)₃]
 
Angewandte Chemie, International Edition, 44(43), 7072 (2005)
  

24. P. Botschwina and R. Oswald

The totally symmetric vibrations of NH₃ ^... HF and NH₃ ^... HCN: a CCSD(T) study including anharmonicity effects

Z. Phys. Chem., 219, 399 (2005)


23. P. Botschwina and R. Oswald

Complexes of an argon atom with the linear anions HCC^- and HC₄^-: results of coupled cluster calculations

Chem. Phys. Lett., 377, 156 (2003)


22. A. Huckauf, W. Jäger, P. Botschwina and R. Oswald

The Ar - HCCCN van der Waals Complex: Microwave Spectroscopy and Coupled Cluster Calculations

J. Chem. Phys., 119, 7749 (2003)


21. B. Abel, J. Assmann, P. Botschwina, M. Buback, M. F. Kling, R. Oswald, S. Schmatz, J. Schroeder and T. Witte 

Experimental and Theoretical Investigations on the Ultrafast Photo-induced Decomposition of Organic Peroxides in Solution.
Formation and Decarboxylation of Benzoyloxy Radicals

J. Phys. Chem. A, 107, 5157 (2003)

 

20. P. Botschwina and R. Oswald

Complexes of an argon atom with linear cations: results of coupled cluster calculations

J. Mol. Spectrosc., 222, 46 (2003)

19. P. Botschwina and R. Oswald

The anionic complex Cl^- ··· HCCH: results of large-scale coupled cluster calculations

J. Chem. Phys. 117, 4800 (2002)

18. P. Botschwina and R. Oswald

Coupled cluster calculations for Ar ··· HCO+

J. Mol. Struct. 599, 371 (2001)

17. P. Botschwina, T. Dutoi, M. Mladenović, R. Oswald, S. Schmatz and H. Stoll

Theoretical investigations of proton-bound cluster ions

Faraday Discuss. 118, 433 (2001)

16. P. Botschwina and R. Oswald

Linear triplet SiC₃ and SiC₅: results of coupled cluster calculations

Z. Phys. Chem. 215 , 393 (2001)

15. P. Botschwina, R. Oswald, H. Linnartz and D. Verdes

The v ₁ and v₂ bands of Ar ··· HN₂⁺: A joint theoretical/experimental study

J. Chem. Phys. 113, 2736 (2000)

14. P. Botschwina, B. Schulz, R. Oswald and H. Stoll

A theoretical investigation of the silicon-carbon chain molecule SiC₈

Z. Phys. Chem. 214, 797 (2000)

13. P. Botschwina, M. Horn, R. Oswald and S. Schmatz

Theoretical investigations of free radicals and negative molecular ions and their calculated photoelectron spectra

J. Electr. Spectr. 108, 109 (2000)

12. P. Botschwina and R. Oswald

NC₅NC: Results of coupled cluster calculations and an unusual anharmonicity effect

Chem. Phys. Lett. 319, 587 (2000)

11. D. Verdes, H. Linnartz, J. P. Maier, P. Botschwina, R. Oswald, P. Rosmus and P. J. Knowles

Spectroscopic and theoretical characterization of linear centrosymmetric

J. Chem. Phys. 111, 8400 (1999)

10. P. Botschwina, M. Horn, K. Markey and R. Oswald

Coupled Cluster calculations for HC₇N, HC₇NH⁺ and C₇N, molecules of interest to astrochemistry

Mol. Phys. 92, 381 (1997)

9. P. Botschwina, Ä. Heyl, M. Oswald and T. Hirano

Ab initio anharmonic force fields and spectroscopic properties for HC₅N and HC₅NH⁺, molecules of interest to astrochemistry

Spectrochim. Acta A53, 1079 (1997)

8. P. Botschwina, M. Horn, S. Seeger and R. Oswald

Stationary points of the potential surface for the reaction F^- + CH₃Cl -> FCH₃ + Cl^-: results of large-scale coupled cluster calculations

Ber. Bunsenges. Phys. Chem. 101, 387 (1997)

7. M. Horn, S. Seeger, R. Oswald and P. Botschwina

Calculated vibrational structure of the first band of the photoelectron spectrum of HO₂^- and the electron affinity of HO₂

Z. Phys. D 36, 293 (1996)

6. M. Horn, M. Oswald, R. Oswald and P. Botschwina

Calculated vibrational structure of the photoelectron spectra of free radicals

Ber. Bunsenges. Phys. Chem. 99, 323 (1995)

5. P. Botschwina, S. Seeger, M. Mladenović, B. Schulz, M. Horn, S. Schmatz, J. Flügge and R. Oswald

Quantum-chemical investigations of small molecular anions

Int. Rev. Phys. Chem. 169, 14 (1995)

4. P. Botschwina, R. Oswald, J. Flügge and M. Horn

A theoretical investigation of the propargyl radical and its cation

Z. Phys. Chem. 188, 29 (1995)

3. P. Botschwina, S. Seeger, M. Horn, J. Flügge, M. Oswald, M. Mladenović, U. Höper, R. Oswald and E. Schick

Quantum-chemical calculations on molecules of astrochemical interest, Proceedings of the Meeting on “Physical Chemistry of Molecules and Grains in Space”(Mont Sainte-Odile, September 6-10, 1993), American Institute of Physics, New York, 1994

2. P. Botschwina, M. Oswald, J. Flügge, Ä. Heyl and R. Oswald

Ab initio spectroscopic constants and the equilibrium geometry of HCCF

Chem. Phys. Lett. 209, 117; 215, 681 (1993)

1. M. Horn, P. Botschwina and R. Oswald

A theoretical investigation of the two lowest electronic states of HC₂NC⁺

Chem. Phys. Lett. 199, 475 (1992)

Last change: 2006-05-18 by NN