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11 results on '"Lee, Timothy J."'

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1. Quantum chemical exploration of the binding motifs and binding energies of neutral molecules, radicals and ions with small water clusters: characterisation and astrochemical implications.

4. Linear transformation of anharmonic molecular force constants between normal and Cartesian coordinates.

5. Formulation and implementation of a relativistic unrestricted coupled-cluster method including noniterative connected triples.

6. A coupled-cluster study of XNO (X=H,F,Cl): An investigation of weak X–N single bonds.

7. Ab initio multireference study of the BN molecule.

8. Comparison of coupled-cluster methods which include the effects of connected triple excitations.

9. The ozonide anion: A theoretical study.

10. The closed-shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results.

11. The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 molecule.

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