Author Stoll, Hermann
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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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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
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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2003 | Journal Article
Structure and rearrangement reactions of bis(organosilyl) (organostannyl)hydroxylamines: A joint theoretical/experimental study
Schmatz, S.; Ebker, C.; Labahn, T.; Stoll, H. & Klingebiel, U. (2003)
Organometallics, 22(3) pp. 490-498. DOI: https://doi.org/10.1021/om0206195
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2007 | Journal Article |
Calculated spectroscopic properties of HgH2
Botschwina, P.; Sebald, P.; Figgen, D. & Stoll, H. (2007)
Molecular Physics, 105(9) pp. 1193-1205. DOI: https://doi.org/10.1080/00268970701302532
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2007 | Journal Article
Calculated spectroscopic and electric properties of the alkali metal-ammonia complexes from K-n-NH3 to Fr-n-NH3 (n=0,+1)
Lim, I. S.; Botschwina, P.; Oswald, R. B.; Barone, V.; Stoll, H. & Schwerdtfeger, P. (2007)
The Journal of Chemical Physics, 127(10) art. 104313. DOI: https://doi.org/10.1063/1.2749517
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2009 | Journal Article
Accurate Potential Energy Surface and Calculated Spectroscopic Properties for CdH2 Isotopomers
Sebald, P.; Oswald, R. B.; Botschwina, P.; Stoll, H. & Figgen, D. (2009)
The Journal of Physical Chemistry A, 113(43) pp. 11772-11782. DOI: https://doi.org/10.1021/jp9029198
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2009 | Journal Article
A simple one-body approach to the calculation of the first electronic absorption band of water
Mata, R. A. ; Stoll, H. & Cabral, B. J. C. (2009)
Journal of Chemical Theory and Computation, 5(7) pp. 1829-1837. DOI: https://doi.org/10.1021/ct9001653
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2010 | Journal Article
A theoretical study of ZnH2: a case of very strong Darling-Dennison resonance
Sebald, P.; Vennekate, H.; Oswald, R. B.; Botschwina, P. & Stoll, H. (2010)
Molecular Physics, 108(3-4) pp. 487-499. DOI: https://doi.org/10.1080/00268971003596151
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