Thomas Pedersen (Former)
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- 2005
-
Mark
Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution
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- Contribution to journal › Article
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Mark
A molecule wired: Electrostatic investigation
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- Contribution to journal › Article
- 2004
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Mark
Polarizabilities of small annulenes from Cholesky CC2 linear response theory
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- Contribution to journal › Article
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Mark
A coupled cluster study of the oriented circular dichroism of the n ->pi* electronic transition in cyclopropanone and natural optical active related structures
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- Contribution to journal › Article
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Mark
Origin invariant calculation of optical rotation without recourse to London orbitals
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- Contribution to journal › Article
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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
-
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
-
Mark
Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions
(
- Contribution to journal › Article
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