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- 2007
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Mark
Theoretical Studies of Cytochrome P450
2007)(
- Thesis › Doctoral thesis (compilation)
-
Mark
Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes
(
- Contribution to journal › Article
-
Mark
Simulations of the absorption and fluorescence of indole in aqueous solution and at a nonpolar/polar interface
2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(42). p.10468-10477(
- Contribution to journal › Article
-
Mark
Calculated reaction cycle of cytochrome c oxidase
(
- Contribution to journal › Article
-
Mark
The 5f(3) manifold of the free-ion U3+ : Ab initio calculations
(
- Contribution to journal › Article
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Mark
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
(
- Contribution to journal › Article
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Mark
Gauge-origin independent magnetizabilities from hybrid quantum mechanics/molecular mechanics models: Theory and applications to liquid water
(
- 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
-
Mark
The charge capacity of the chemical bond
(
- Contribution to journal › Article
-
Mark
Polyelectrolytes. Physicochemical Aspects and Biological Significance
2007) p.1-39(
- Chapter in Book/Report/Conference proceeding › Book chapter