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- 2007
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Mark
Reaching the maximum multiplicity of the covalent chemical bond
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- Contribution to journal › Article
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The 5f(3) manifold of the free-ion U3+ : Ab initio calculations
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- Contribution to journal › Article
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Mark
Agostic interaction in the methylidene metal dihydride complexes H2MCH2 (M = Y, Zr, Nb, Mo, Ru, Th, or U)
2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(28). p.6420-6424(
- Contribution to journal › Article
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Mark
Ab initio characterization of C-5
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- Contribution to journal › Article
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Mark
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2
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- Contribution to journal › Article
- 2006
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Mark
A theoretical study of the spin-forbidden reaction Fe(CO)(4) + CO -> Fe(CO)(5)
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- Contribution to journal › Article
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Quantum chemistry predicts multiply bonded diuranium compounds to be stable
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- Contribution to journal › Article
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Mark
How accurate is the CASPT2 method?
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- Contribution to journal › Article
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The lowest-lying doublet electronic states of CoC - A theoretical study
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- Contribution to journal › Article
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Mark
Exploring the actinide-actinide bond: Theoretical studies of the chemical bond in Ac-2, Th-2, Pa-2, and U-2
(
- Contribution to journal › Article