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- 2008
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Mark
Not Innocent: Verdict from Ab Initio Multiconfigurational Second-Order Perturbation Theory on the Electronic Structure of Chloroiron Corrole
(
- Contribution to journal › Article
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Mark
Secondary bonding interactions in biomimetic [2Fe-2S] clusters
(
- Contribution to journal › Article
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Mark
Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds
(
- Contribution to journal › Article
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Mark
A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties.
(
- Contribution to journal › Article
-
Mark
Ion-ion correlation attraction in a molecular solvent.
(
- Contribution to journal › Article
-
Mark
Interaction of Nanometric Clay Platelets
(
- Contribution to journal › Article
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Mark
A DFT investigation on structural and redox properties of a synthetic Fe6S6 assembly closely related to the [FeFe]-hydrogenases active site
(
- Contribution to journal › Article
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Mark
The Influence of X-Rays on the Structural Studies of Peroxide-Derived Myoglobin Intermediates
(
- Contribution to journal › Scientific review
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Mark
Density functional theory for polymer fluids with molecular weight polydispersity
(
- Contribution to journal › Article
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Mark
Cholesky decomposition-based multiconfiguration second-order perturbation theory (CD-CASPT2): Application to the spin-state energetics of Co-III(diiminato)(NPh)
(
- Contribution to journal › Article