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Theoretical Spectroscopy on Small Molecules: Ab initio Investigations of Vibronic Structure, Spin-Orbit Splittings and Magnetic Hyperfine Effects in the Electronic Spectra of Triatomic Molecules

, , и . Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Springer Netherlands, (1995)
DOI: 10.1007/978-94-011-0193-6_7

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Thimo Engels

Die endokrine Stressreaktion und das kardiale Outcome bei ACVB-Operationen unter balancierter Anästhesie mit Sevofluran oder TIVA mit Propofol. MedH Hannover, (2009)

B Schäfers

B Wiederanders

B Klösgen

B Hause

 

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Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen, и . J. Phys. B: At. Mol. Opt. Phys, 21 (21): 3459-3471 (1988)Theoretical Study of the Reaction O(3P) $\mathplus$ C2H4 and Comparison with the 3CH2 $\mathplus$ C2H4 Reaction, , и . The Journal of Physical Chemistry, 98 (38): 9541--9545 (сентября 1994)Study of the P4O7, P4O6S, and P4O6Se Vibrational Spectra, , , , и . Inorganic Chemistry, 36 (11): 2451--2457 (мая 1997)Spin Orbit and Vibronic Effects in Open Shell Molecules: The Link between Theory and Experiment, , , , и . Interactions in molecules: Electronic and steric effects, Abschlussbericht des SFB 334, DFG, (2003)Difficulties in the calculation of electron spin resonance parameters using density functional methods, , , и . Chemical Physics Letters, 230 (4-5): 398--404 (декабря 1994)Study of orbital transformation in configuration interaction calculations of hyperfine coupling in nitrogen and the CH molecule, и . Zeitschrift für Physik D Atoms, Molecules and Clusters, 13 (4): 335--343 (01.12.1989)Ab Initio Investigation of the Hyperfine Structure in the 12$\upPi$u(X2A1, A2B1) System of BH2, , и . Journal of Molecular Spectroscopy, 163 (1): 221--237 (января 1994)Photochemical Reactions of Silylene with Ethene and Silene, , и . The Journal of Physical Chemistry A, 101 (51): 10053--10062 (декабря 1997)Study of the hyperfine coupling constants (14N and 1H) of the NH2 molecules in the X 2B1 ground state and the A 2A1 excited state, , , , и . J. Chem. Phys., 96 (6): 4526--4535 (марта 1992)Study of the hyperfine coupling constants of the molecules NH2, NHD and ND2, , , и . Chemical Physics Letters, 172 (2): 180--186 (августа 1990)