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- 2019
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Mark
OpenMolcas : From Source Code to Insight
(
- Contribution to journal › Scientific review
- 2016
-
Mark
Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation Theory
(
- Contribution to journal › Article
- 2015
-
Mark
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
2015) In Journal of Computational Chemistry(
- Contribution to journal › Article
- 2014
-
Mark
Accurate calculations of geometries and singlet-triplet energy differences for active-site models of [NiFe] hydrogenase
(
- Contribution to journal › Article
- 2013
-
Mark
Parallelization of a multiconfigurational perturbation theory
(
- Contribution to journal › Article
- 2010
-
Mark
Multireference Ab Initio Calculations of g tensors for Trinuclear Copper Clusters in Multicopper Oxidases.
(
- Contribution to journal › Article
- 2007
-
Mark
Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)
(
- Contribution to journal › Article