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- 2007
-
Mark
Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models
(
- Contribution to journal › Article
-
Mark
Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncovered
2007) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 111(32). p.8013-8019(
- Contribution to journal › Article
- 2006
-
Mark
Development and Implementation of Methods in Theoretical Chemistry
2006)(
- Thesis › Doctoral thesis (monograph)
-
Mark
The prediction of the nuclear quadrupole splitting of Sn-119 Mossbauer spectroscopy data by scalar relativistic DFT calculations
(
- Contribution to journal › Article
-
Mark
Spin-orbit ab initio investigation of the photolysis of bromoiodomethane
(
- Contribution to journal › Article
- 2005
-
Mark
Condensation energy of the homogeneous electron gas from density-functional theory for superconductors
(
- Contribution to journal › Article
-
Mark
The electronic spectrum of the UO2 molecule
(
- Contribution to journal › Article
- 2003
-
Mark
The condensation energy of the homogeneous superconducting gas.
(
- Contribution to journal › Article
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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
-
Mark
Molcas programmer’s guide
2003)(
- Book/Report › Report