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- 2004
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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
Linear response functions for coupled cluster/molecular mechanics including polarization interactions.
(
- 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
On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS.
(
- Contribution to journal › Article
- 2002
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Mark
Radiative singlet-triplet transition properties from coupled-cluster response theory: The importance of the S-0 -> T-1 transition for the photodissociation of water at 193 nm
(
- Contribution to journal › Article
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Mark
The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories
(
- 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
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Mark
A coupled cluster response study of the electric dipole polarizability, first and second hyperpolarizabilities of HCl
(
- Contribution to journal › Article
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Mark
Dipole and quadrupole moments of liquid water calculated within the coupled cluster/molecular mechanics method
(
- Contribution to journal › Article
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Mark
Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections
(
- Contribution to journal › Article