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- 2023
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Mark
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
(
- Contribution to journal › Article
- 2020
-
Mark
Non-radiative decay and fragmentation in water molecules after 1a1-14a1 excitation and core ionization studied by electron-energy-resolved electron-ion coincidence spectroscopy
(
- Contribution to journal › Article
-
Mark
Modern quantum chemistry with [Open]Molcas
(
- Contribution to journal › Article
- 2019
-
Mark
OpenMolcas : From Source Code to Insight
(
- Contribution to journal › Scientific review
- 2018
-
Mark
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
(
- Contribution to journal › Article
- 2017
-
Mark
Influence of the choice of projection manifolds in the CASPT2 implementation
(
- Contribution to journal › Article
- 2016
-
Mark
Multiconfigurational Quantum Chemistry
2016)(
- Book/Report › Book
- 2015
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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
Analytical Gradients of the Second-Order Moller-Plesset Energy Using Cholesky Decompositions
(
- Contribution to journal › Article
-
Mark
Accurate calculations of geometries and singlet-triplet energy differences for active-site models of [NiFe] hydrogenase
(
- Contribution to journal › Article