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- 2008
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Mark
Vibrational Contributions to Indirect Spin-Spin Coupling Constants Calculated via Variational Anharmonic Approaches.
(
- Contribution to journal › Article
- 2007
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Mark
Vibrational and thermal effects on the dipole polarizability of methane and carbon tetrachloride from vibrational structure calculations
(
- Contribution to journal › Article
- 2004
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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
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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
(
- Contribution to journal › Article
- 2003
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Mark
On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS.
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- Contribution to journal › Article
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Mark
Linear response functions for coupled cluster/molecular mechanics including polarization interactions.
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- 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
- 2002
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Mark
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections
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- Contribution to journal › Article
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Mark
Vibronic transitions from coupled-cluster response theory: Theory and application to HSiF and H2O
(
- Contribution to journal › Article