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- 2007
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Mark
Quartic scaling evaluation of canonical scaled opposite spin second-order Moller-Plesset correlation energy using Cholesky decompositions
(
- Contribution to journal › Article
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Mark
Identification of the peroxy adduct in multicopper oxidases by a combination of computational chemistry and extended X-ray absorption fine-structure measurements
(
- Contribution to journal › Article
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Mark
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2
(
- Contribution to journal › Article
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Mark
Basic statistics and variational concepts behind the reverse Monte Carlo technique
(
- Contribution to journal › Article
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Mark
Ab initio characterization of C-5
(
- Contribution to journal › Article
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Mark
Performance of density functionals for first row transition metal systems
(
- Contribution to journal › Article
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Mark
Surface forces at restricted equilibrium, in solutions containing finite or infinite semiflexible polymers
(
- Contribution to journal › Article
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Mark
General transition-state force field for cytochrome p450 Hydroxylation
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- Contribution to journal › Article
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Mark
Implications of a high dielectric constant in proteins
(
- Contribution to journal › Article
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Mark
Theoretical Studies of Cytochrome P450
2007)(
- Thesis › Doctoral thesis (compilation)