Author Botschwina, Peter
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2000 | Journal Article
A theoretical investigation of the silicon-carbon chain molecule SiC8
Botschwina, P.; Schulz, B.; Oswald, R. B. & Stoll, H. (2000)
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS, 214 pp. 797-810. DOI: https://doi.org/10.1524/zpch.2000.214.6.797
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2000 | Journal Article
Coupled cluster calculations for the S(N)2 reaction Cl-+CH3Br -> ClCH3+Br-
Schmatz, S.; Botschwina, P. & Stoll, H. (2000)
International Journal of Mass Spectrometry, 201(1-3) pp. 277-282. DOI: https://doi.org/10.1016/S1387-3806(00)00215-3
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2000 | Journal Article | Letter Note
The equilibrium structures of linear carbon clusters of type C2n+l (n=1-4)
Botschwina, P. (2000)
Theoretical Chemistry Accounts, 104(2) pp. 160-162. DOI: https://doi.org/10.1007/s002149900116
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2000 | Journal Article
NC5NC: results of coupled cluster calculations and an unusual anharmonicity effect
Botschwina, P. & Oswald, R. B. (2000)
Chemical Physics Letters, 319(5-6) pp. 587-594. DOI: https://doi.org/10.1016/S0009-2614(00)00156-1
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2000 | Journal Article
Millimeter-wave spectroscopy and coupled cluster calculations for NCCP
Bizzocchi, L.; Esposti, C. D. & Botschwina, P. (2000)
The Journal of Chemical Physics, 113(4) art. PII [S0021-9606(00)00928-4]. DOI: https://doi.org/10.1063/1.481934
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2000 | Journal Article
Accurate equilibrium structures and equilibrium dipole moments for CH3CNH+ and CH3C3NH+
Botschwina, P. (2000)
Journal of Molecular Spectroscopy, 203(1) pp. 203-204. DOI: https://doi.org/10.1006/jmsp.2000.8172
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2000 | Journal Article
Theoretical study of the Jahn-Teller effect in (X)over-tilde E-2 CH3O
Hoper, U.; Botschwina, P. & Koppel, H. (2000)
The Journal of Chemical Physics, 112(9) pp. 4132-4142.
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2000 | Conference Paper
Theoretical investigations of free radicals and negative molecular ions and their calculated photoelectron spectra
Botschwina, P.; Horn, M.; Oswald, R. B. & Schmatz, S. (2000)
Journal of Electron Spectroscopy and Related Phenomena, 108(1-3) pp. 109-122. Beijing International Conference on Photoelectron Spectroscopy: Molecules, Ions and CLusters (BICPES 99), BEIJING, PEOPLES R CHINA.
Amsterdam: Elsevier Science Bv. DOI: https://doi.org/10.1016/S0368-2048(00)00134-1
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2000 | Journal Article
The nu(1) and nu(2) bands of Ar center dot center dot center dot HN2+: A joint theoretical/experimental study
Botschwina, P.; Oswald, R. B.; Linnartz, H. & Verdes, D. (2000)
The Journal of Chemical Physics, 113(7) pp. 2736-2740. DOI: https://doi.org/10.1063/1.1305263
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2000 | Journal Article
Millimeter-wave spectroscopy of HC3P isotopomers and coupled-cluster calculations: the molecular structure of phosphabutadiyne
Bizzocchi, L.; Degli Esposti, C. & Botschwina, P. (2000)
Chemical Physics Letters, 319(3-4) pp. 411-417. DOI: https://doi.org/10.1016/S0009-2614(00)00140-8
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2000 | Journal Article
Structures of the linear silicon carbides SiC4 and SiC6: Isotopic substitution and Ab Initio theory
Gordon, V. D.; Nathan, E. S.; Apponi, A. J.; McCarthy, M. C.; Thaddeus, P. & Botschwina, P. (2000)
The Journal of Chemical Physics, 113(13) art. PII [S0021-9606(00)01537-3]. DOI: https://doi.org/10.1063/1.1290126
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2000 | Journal Article
HC3P: results of coupled cluster calculations
Botschwina, P.; Merzliak, T.; Schulz, B. & Heyl, A. (2000)
Journal of Molecular Structure, 517 pp. 301-306. DOI: https://doi.org/10.1016/S0022-2860(99)00259-8
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2001 | Journal Article | Letter Note
CCSD(T) spectroscopic constants and an accurate equilibrium structure for HC4F
Botschwina, P. & Puzzarini, C. (2001)
Journal of Molecular Spectroscopy, 208(2) pp. 292-294. DOI: https://doi.org/10.1006/jmsp.2001.8398
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2001 | Journal Article
The hydrogen-bonded cluster anions Br-center dot center dot center dot HCCH and I-center dot center dot center dot HCCH: results of coupled cluster calculations
Botschwina, P. & Stoll, H. (2001)
Physical Chemistry Chemical Physics, 3(11) pp. 1965-1972. DOI: https://doi.org/10.1039/b100549i
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2001 | Conference Paper
Unimolecular decay of the Cl-center dot center dot center dot CH3Cl complex: Influence of symmetry breaking
Hauschildt, J.; Schinke, R.; Schmatz, S. & Botschwina, P. (2001)
Physical Chemistry Chemical Physics, 3(12) pp. 2275-2281. International Discussion Meeting of the Deutsche-Bunsen-Gesellschaft-fur-Physikalische-Chemie, GOTTINGEN, GERMANY.
Cambridge: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b009879p
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2001 | Journal Article
Measurement and theoretical simulation of the HCCO- anion photoelectron spectrum
Schafer-Bung, B.; Engels, B.; Taylor, T. R.; Neumark, D. M.; Botschwina, P. & Peric, M. (2001)
The Journal of Chemical Physics, 115(4) pp. 1777-1788.
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2001 | Journal Article
Coupled cluster calculations for Ar center dot center dot center dot HCO+
Botschwina, P. & Oswald, R. B. (2001)
Journal of Molecular Structure, 599(1-3) pp. 371-379. DOI: https://doi.org/10.1016/S0022-2860(01)00824-9
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2001 | Journal Article
Symmetry specificity in the unimolecular decay of the Cl-center dot center dot center dot CH3Cl complex: Two-mode quantum calculations on a coupled-cluster [CCSD(T)] potential energy surface
Schmatz, S.; Botschwina, P.; Hauschildt, J. & Schinke, R. (2001)
The Journal of Chemical Physics, 114(12) pp. 5233-5245. DOI: https://doi.org/10.1063/1.1350902
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2001 | Conference Paper
Theoretical investigations of proton-bound cluster ions
Botschwina, P.; Dutoi, T.; Mladenovic, M.; Oswald, R. B.; Schmatz, S. & Stoll, H. (2001)
Faraday Discussions, 118 pp. 433-453. General Discussion Meeting on Cluster Dynamics, DURHAM, ENGLAND.
Cambridge: Royal Soc Chemistry. DOI: https://doi.org/10.1039/b010076p
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2002 | Journal Article
Resonances in S(N)2 reactions: Two-mode quantum calculations for Cl-+CH3Br on a coupled-cluster potential energy surface
Schmatz, S.; Botschwina, P.; Hauschildt, J. & Schinke, R. (2002)
The Journal of Chemical Physics, 117(21) pp. 9710-9718. DOI: https://doi.org/10.1063/1.1516799
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