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- 2005
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Mark
Energy transfer within Zn-porphyrin dendrimers: Study of the singlet-singlet annihilation kinetics
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(47). p.10654-10662(
- Contribution to journal › Article
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Mark
New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-xi basis set 6-311+G(d,p)
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(12). p.2937-2941(
- Contribution to journal › Article
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Mark
New relativistic ANO basis sets for transition metal atoms
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(29). p.6575-6579(
- Contribution to journal › Article
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Mark
Excited-state processes in the carotenoid zeaxanthin after excess energy excitation
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(31). p.6852-6859(
- Contribution to journal › Article
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Mark
Femtosecond time-resolved absorption spectroscopy of astaxanthin in solution and in alpha-crustacyanin
2005) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 109(14). p.3120-3127(
- Contribution to journal › Article
- 2004
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Mark
Theoretical Study of the Fast Photodissociation Channels of the Monohalobenzenes
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(12). p.2339-2345(
- Contribution to journal › Article
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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
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Mark
Solvent effects on rotatory strength tensors. 1. Theory and application of the combined coupled cluster/dielectric continuum model
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(16). p.3632-3641(
- Contribution to journal › Article
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Mark
Observation and rovibrational analysis of the intermolecular HCl libration band v(4)(1) in OC-HCl. Modeling of the intermolecular potential energy surface
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(9). p.1524-1530(
- Contribution to journal › Article
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Mark
The n ->pi* electronic transition in microsolvated formaldehyde. A coupled cluster and combined coupled cluster/molecular mechanics study
2004) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 108(41). p.8624-8632(
- Contribution to journal › Article