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Disambiguation of "Rauhut, Guntram"

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Ethyne Adsorbed on CuNaY Zeolite:  FTIR Spectra and Quantum Chemical Calculations

, , , and . J. Phys. Chem. B, 107 (33): 8568–8573 (August 2003)
DOI: 10.1021/jp034304u

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apl. Prof. Dr. Guntram Rauhut University of Stuttgart

Rovibrational calculations without model Hamiltonians: The infrared and microwave spectra of thiopropynal, and . Int. J. Quant. Chem., 124 (9): e27378 (2024)
 

Other publications of authors with the same name

A computational study on the mechanism and kinetics of the pyrolysis of 2-nitrophenyl azide, and . J. Phys. Chem. A, 103 (45): 9086–9092 (November 1999)Azidoacetylene-interpretation of gas phase infrared spectra based on high-level vibrational configuration interaction calculations, , , , and . Phys. Chem. Chem. Phys., 15 (18): 6719–6725 (2013)Convergence of vibrational angular momentum terms within the Watson Hamiltonian, , , and . J. Chem. Phys., 134 (6): 064105 (February 2011)Erratum: Toward large scale vibrational configuration interaction calculations (Journal of Chemical Physics (2009) 131 (124129)), and . J. Chem. Phys., 131 (22): 229901 (2009)Hydrogen storage by physisorption on dodecahydro-closo-dodecaboranes, , , and . Phys. Chem. Chem. Phys., 15 (16): 5836–5843 (2013)Transferable scaling factors for vibrational force fields of halogenated molecules based on energy-consistent pseudopotentials, , , and . J. Phys. Chem. A, 106 (29): 6810–6816 (July 2002)Analytical energy gradients for local second-order Møller-Plesset perturbation theory, , , and . J. Chem. Phys., 108 (13): 5185–5193 (April 1998)Combined ab initio and density functional study of ring chain tautomerism in benzofurazan-1-oxide. J. Comput. Chem., 17 (16): 1848–1856 (1996)Configuration selection within vibrational multiconfiguration self-consistent field theory: Application to bridged lithium compounds, , and . J. Chem. Phys., 134 (20): 204108 (2011)Analysis and dynamics of unusual double proton transfer reactions based on the reaction path Hamiltonian, , and . Phys. Chem. Chem. Phys., 6 (13): 3341–3349 (July 2004)