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- 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
Role of Electronic Curve Crossing of Benzene S-1 State in the Photodissociation of Aryl Halides, Effect of Fluorination: RASSI-SO MS-CASPT2 Study
(
- Contribution to journal › Article
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Mark
Density fitting with auxiliary basis sets from Cholesky decompositions
(
- Contribution to journal › Article
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Mark
Theoretical study of the chemiluminescent decomposition of dioxetanone.
(
- 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
(
- Contribution to journal › Article
- 2008
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Mark
Accurate ab initio density fitting for multiconfigurational self-consistent field methods.
(
- Contribution to journal › Article
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Mark
Analytic derivatives for the Cholesky representation of the two-electron integrals.
(
- Contribution to journal › Article
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Mark
Linear scaling multireference singles and doubles configuration interaction.
(
- Contribution to journal › Article
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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
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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