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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
- 2010
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Mark
Multireference calculations on the chemical origin and mechanism of firefly bioluminescence
(
- Contribution to journal › Published meeting abstract
- 2009
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Mark
Location of Two Seams in the Proximity of the C-2v pi pi Minimum Energy Path of Formaldehyde
(
- Contribution to journal › Article
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Mark
Theoretical study of the chemiluminescent decomposition of dioxetanone.
(
- Contribution to journal › Article
- 2008
-
Mark
The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
(
- Contribution to journal › Article
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Mark
Ab initio investigation on the chemical origin of the firefly bioluminescence
(
- Contribution to journal › Article
- 2007
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Mark
Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane
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- Contribution to journal › Article
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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
Characterization of the conical intersection of the visual pigment rhodopsin at the CASPT2//CASSCF/AMBER level of theory
(
- Contribution to journal › Article
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Mark
A theoretical study of singlet low-energy excited states of the benzene dimer
(
- Contribution to journal › Article