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- 2004
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Mark
Main group atoms and dimers studied with a new relativistic ANO basis set
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(15). p.2851-2858(
- Contribution to journal › Article
-
Mark
Photochemistry of diiodomethane in solution studied by femtosecond and nanosecond laser photolysis. Formation and dark reactions of the CH2I-I isomer photoproduct and its role in cyclopropanation of olefins
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(2). p.237-249(
- Contribution to journal › Scientific review
- 2003
-
Mark
Mixed-Valence Properties of an Acetate-Bridged Dinuclear Ruthenium (II,III) Complex
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(22). p.4373-4380(
- Contribution to journal › Article
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Mark
Coupled cluster/molecular mechanics method: Implementation and application to liquid water.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(14). p.2578-2588(
- Contribution to journal › Article
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Mark
Ab initio MP2 and DFT study of the thermal Syn elimination reaction in ethyl formate
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(10). p.1651-1654(
- Contribution to journal › Article
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Mark
Study of the hydroxyl ion in water. A combined quantum chemical and statistical mechanical treatment.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(26). p.5217-5222(
- Contribution to journal › Article
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Mark
Conformations and Photophysics of a Stilbene Dimer.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(40). p.8029-8034(
- Contribution to journal › Article
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Mark
Photodissociation Dynamics of Iodoform in Solution.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(2). p.211-217(
- Contribution to journal › Article
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Mark
Theoretical prediction of the co-c bond strength in cobalamins.
2003) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 107(38). p.7539-7545(
- Contribution to journal › Article
- 2002
-
Mark
Theoretical study of the lowest B-1(U) states of trans-stilbene
2002) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 106(32). p.7355-7361(
- Contribution to journal › Article