Roland Lindh (Former)
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- 2023
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Mark
The OpenMolcas Web : A Community-Driven Approach to Advancing Computational Chemistry
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- Contribution to journal › Article
- 2020
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Mark
Modern quantum chemistry with [Open]Molcas
(
- Contribution to journal › Article
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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
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- Contribution to journal › Article
- 2019
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Mark
OpenMolcas : From Source Code to Insight
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- Contribution to journal › Scientific review
- 2018
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Mark
Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
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- Contribution to journal › Article
- 2017
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Mark
Influence of the choice of projection manifolds in the CASPT2 implementation
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- Contribution to journal › Article
- 2016
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Mark
Multiconfigurational Quantum Chemistry
2016)(
- Book/Report › Book
- 2010
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Mark
Color-Tuning Mechanism of Firefly Investigated by Multi-Configurational Perturbation Method.
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- Contribution to journal › Article
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Mark
A NEMO potential that includes the dipole-quadrupole and quadrupole-quadrupole polarizability.
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- Contribution to journal › Article
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Mark
Software News and Update MOLCAS 7: The Next Generation
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- Contribution to journal › Scientific review
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Mark
Color-Modulation of firefly luciferin-luciferase system investigated by theoretical approach
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- Contribution to journal › Published meeting abstract
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Mark
Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies
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- Contribution to journal › Article
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Mark
Multireference calculations on the chemical origin and mechanism of firefly bioluminescence
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- Contribution to journal › Published meeting abstract
- 2009
-
Mark
Role of Electronic Curve Crossing of Benzene S-1 State in the Photodissociation of Aryl Halides, Effect of Fluorination: RASSI-SO MS-CASPT2 Study
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- Contribution to journal › Article
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Mark
Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions
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- Contribution to journal › Article
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Mark
Theoretical study of the chemiluminescent decomposition of dioxetanone.
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- Contribution to journal › Article
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Mark
A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation
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- Contribution to journal › Article
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Mark
Location of Two Seams in the Proximity of the C-2v pi pi Minimum Energy Path of Formaldehyde
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- Contribution to journal › Article
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Mark
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
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- Contribution to journal › Article
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Mark
Density fitting with auxiliary basis sets from Cholesky decompositions
(
- Contribution to journal › Article