Computational Chemistry
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- 2003
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Mark
Comparison of the chemical properties of iron and cobalt porphyrins and corrins.
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- Contribution to journal › Article
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Mark
Activity coefficients in sea water using monte carlo simulations.
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- Contribution to journal › Article
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Mark
The water-hydroxyl radical complex: A matrix isolation study.
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- Contribution to journal › Article
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Mark
An improved density functional description of hard sphere polymer fluids at low density.
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- Contribution to journal › Article
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Mark
The importance of porphyrin distortions for the ferrochelatase reaction.
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- Contribution to journal › Article
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Mark
Combined quantum and molecular mechanics calculations on metalloproteins.
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- Contribution to journal › Scientific review
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Mark
The ground state and electronic spectrum of CUO - a mystery.
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- Contribution to journal › Article
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Mark
A theoretical investigation of valence and Rydberg electronic states of acrolein
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- Contribution to journal › Article
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Mark
On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS.
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- Contribution to journal › Article
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Mark
A theoretical analysis of the excited states in 2-benzoylthiophene.
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- Contribution to journal › Article