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- 2020
-
Mark
Modern quantum chemistry with [Open]Molcas
(
- Contribution to journal › Article
- 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
-
Mark
Multiconfigurational Quantum Chemistry
2016)(
- Book/Report › Book
- 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
- 2013
-
Mark
Parallelization of a multiconfigurational perturbation theory
(
- Contribution to journal › Article
- 2012
-
Mark
The binatural orbitals of electronic transitions
(
- Contribution to journal › Article
- 2011
-
Mark
How to Select Active Space for Multiconfigurational Quantum Chemistry?
(
- Contribution to journal › Article
- 2010
-
Mark
Software News and Update MOLCAS 7: The Next Generation
(
- Contribution to journal › Scientific review
- 2008
-
Mark
New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3
2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(45). p.11431-11435(
- Contribution to journal › Article