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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
- 2016
-
Mark
Multiconfigurational Quantum Chemistry
2016)(
- Book/Report › Book
- 2008
-
Mark
PHYS 611-Macroconfiguration based approach for heavy element compounds: Implementation of relativistic generalized van Vleck perturbation theory (GVVPT3)
2008) 235th American-Chemical-Society National Meeting In Abstracts of Papers of the American Chemical Society 235. p.611-611(
- Contribution to journal › Published meeting abstract
-
Mark
PHYS 142-Cholesky decomposition in computational chemistry
2008) 235th American-Chemical-Society National Meeting In Abstracts of Papers of the American Chemical Society 235. p.142-142(
- Contribution to journal › Published meeting abstract
-
Mark
The Douglas-Kroll-Hess electron density at an atomic nucleus
(
- Contribution to journal › Article
-
Mark
Ab initio investigation on the chemical origin of the firefly bioluminescence
(
- Contribution to journal › Article
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Mark
Nuclear quadrupole moment of Sn-119
2008) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 112(7). p.1666-1672(
- Contribution to journal › Article
- 2007
-
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
-
Mark
Ab initio DFT study of Z-E isomerization pathways of N-benzylideneaniline
(
- Contribution to journal › Article
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Mark
Analytic high-order Douglas-Kroll-Hess electric field gradients
(
- Contribution to journal › Article