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- 2006
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Mark
Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex
(
- Contribution to journal › Article
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Mark
The structures of frataxin oligomers reveal the mechanism for the delivery and detoxification of iron
(
- Contribution to journal › Article
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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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Mark
Spin-orbit ab initio investigation of the photolysis of bromoiodomethane
(
- Contribution to journal › Article
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Mark
Driving forces behind ion-ion correlations
(
- Contribution to journal › Article
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Mark
Density functional theory for flexible and semiflexible polymers of infinite length
(
- Contribution to journal › Article
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Mark
Multireference ab initio calculations on reaction intermediates of the multicopper oxidases
(
- Contribution to journal › Article
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Mark
Ion adsorption and Lamellar-Lamellar transitions in charged bilayer systems
(
- 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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Mark
Combined computational and crystallographic study of the oxidised states of [NiFe] hydrogenase
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- Contribution to journal › Article