27 results on '"Engels, Bernd"'
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2. Einfluß der Ladungsverteilung auf die Bindungslängen im P\(_4\)O\(_6\) Gerüst bei Verbindungen des Typs P\(_4\)O\(_6\)X
3. Theoretical Study of the Reaction O(\(^3\)P) + C\(_2\)H\(_4\) and comparison with the \(^3\)CH\(_3\) + C\(_2\)H\(_4\) Reaction
4. Ab initio investigation of the hyperfine structure in the 1\(^2\)Π\(_u\)(X\(^2\)A\(_1\), A\(^2\)B\(_1\) system of BH\(_2\))
5. A comparative ab initio study of the Si\(_2\)C\(_4\), Si\(_3\)C\(_3\), Si\(_4\)C\(_2\) clusters
6. Ab initio study of the energy difference between the benzene and the cumulene form of the C\(_6\) molecule
7. Analysis and Depertubation of the C\(^2\)Π and D\(^2\)Σ\(^+\) states of CaF
8. Study of influences of various excitation classes on ab initio calculated isotropic hyperfine coupling constants
9. On the chemi-ionization reaction O + CH ----> HCO\(^+\)+ e\(^-\). Coollinear O-CH Approach
10. Ab initio calculation of the vibronically averaged hyperfine coupling constants in the two lowest electronic states of H\(_2\)O\(^+\)
11. The Reaction of Singlet and Triplet Methylen with Ethene - A Multi-Reference CI Study
12. Ab initio calculation of the vibronically averaged hyperfine coupling constants in the 1\(^2\)Π\(_u\) electronic state of CH\(_2 ^+\)
13. Study of the hyperfine coupling constants \(^{14}\)N and \(^1\)H) of the NH\(_2\) molecule in the X\(^2\)B\(_1\) ground state and the A\(^2\)A\(_1\) excited state
14. Ab initio investigation of the vibronic structure of the C\(_2\)H spectrum Computation of the vibronically-averaged values for the Hyperfine Coupling Constants
15. Estimation of the influence of the configurations neglected within truncated MR-CI wavefunctions on molecular properties
16. Ab initio investigation of the vibronic structure of the C\(_2\)H spectrum Calculation of the hyperfine coupling constants for the three lowest lying electronic states
17. Theoretical study of the potential energy surface governing the stereochemistry in ClC\(_2\)H\(_4\) reactions
18. Ab initio configuration-interaction studies of the ground state potential energy and hyperfine coupling constants of \(^{35}\)Cl\(_2^-\)
19. Study of the hyperfine coupling constants of the moleculs NH2, NHD and ND2
20. Calculation of hyperfine coupling constants : An ab initio MRD-CI study for nitrogen to analyse the effects of the basis sets and CI parameter
21. Theoretical study of FC\(_2\)H\(_4\)
22. The hyperfine coupling constants of the X\(^3\)Σ\(^-\) state of NH : Influence of polarization functions and configuration space on the description of spin polarization
23. Study of orbital transformations in configurational interaction calculation of hyperfine coupling in nitrogen and CH molecule
24. The hyperfine coupling constants of \(^{19}\)F\(_2\)
25. Study of the 1s and 2s shell contributions to the isotropic hyperfine coupling constant in nitrogen
26. The hyperfine coupling constants of the five lowest states of CH : An ab initio MRD-CI study
27. Theoretical study of the bridging in β-Halo Ethyl
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