Computational Chemistry
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- 2003
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Mark
Semidirect parallel self-consistent field: the load balancing problem in the input/output intensive self-consistent field iterations
(
- Contribution to journal › Article
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Mark
Ab initio MP2 and DFT study of the thermal Syn elimination reaction in ethyl formate
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(10). p.1651-1654(
- Contribution to journal › Article
-
Mark
Quantum Chemical Interpretation of Protein Crystal Structure
2003)(
- Thesis › Doctoral thesis (compilation)
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Mark
Free Energy and Surface Forces in polymer systems: Monte Carlo Simulation Studies
2003)(
- Thesis › Doctoral thesis (compilation)
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Mark
Heavy element quantum chemistry - the multiconfigurational approach.
2003)(
- Chapter in Book/Report/Conference proceeding › Book chapter
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Mark
Bjorn's top ten
(
- Contribution to journal › Letter
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Mark
Nonlinear electric response of polyampholytes
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- Contribution to journal › Article
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Mark
Inter- and intramolecular potential for the N-formylglycinamide-water system. A comparison between theoretical modeling and empirical force fields
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- Contribution to journal › Article
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Mark
On the influence of the basis set superposition error on calculated vibrational frequencies
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- Contribution to journal › Article
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Mark
On the effective interaction between an ion and a hydrophobic particle in polar solvents. A step towards an understanding of the hofmeister effect?
(
- Contribution to journal › Article