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8

JCC
2000

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Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions

13 years 4 months ago

Comparison of Hartree-Fock and Kohn-Sham determinants as wave functions

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Petr Bou

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6

JCC
2000

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Local deformations of polymers with nonplanar rigid main-chain internal coordinates

13 years 4 months ago

Local deformations of polymers with nonplanar rigid main-chain internal coordinates

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Aaron R. Dinner

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7

JCC
2000

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Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A

13 years 4 months ago

Ab initio simulation of chemical shift effects from metal ion binding in Bacitracin A

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Finn Drabløs

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7

JCC
2000

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Modal dynamics of proteins in water

13 years 4 months ago

Modal dynamics of proteins in water

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Juan Elezgaray, Yves-Henri Sanejouand

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7

JCC
2000

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Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization

13 years 4 months ago

Electronic structure properties of solvated biomolecules: A quantum approach for macromolecular characterization

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Jana Khandogin, Anguang Hu, Darrin M. York

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