Computational Chemistry: The Fate of Current Methods and Future Challenges.

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Spectrophores as one-dimensional descriptors calculated from three-dimensional atomic properties: applications ranging from scaffold hopping to multi-target virtual screening.Systems protobiology: origin of life in lipid catalytic networks

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Computational Chemistry: The Fate of Current Methods and Future Challenges.

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http://www.wikidata.org/entity/Q47857870

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年學術文章

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name

Computational Chemistry: The Fate of Current Methods and Future Challenges.

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Computational Chemistry: The Fate of Current Methods and Future Challenges.

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Item

label

Computational Chemistry: The Fate of Current Methods and Future Challenges.

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Computational Chemistry: The Fate of Current Methods and Future Challenges.

@nl

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Computational Chemistry: The Fate of Current Methods and Future Challenges.

@en

Computational Chemistry: The Fate of Current Methods and Future Challenges.

@nl

P1476

Computational Chemistry: The Fate of Current Methods and Future Challenges.

@en

P2093

Stefan Grimme

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Density-functional thermochemistry. III. The role of exact exchange

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Protein folding and misfolding

Steric Crowding Can Stabilize a Labile Molecule: Solving the Hexaphenylethane Riddle

ReaxFF: A Reactive Force Field for Hydrocarbons

The dynamical nature of enzymatic catalysis.

Discovering chemistry with an ab initio nanoreactor.

A flexible implementation of frozen-density embedding for use in multilevel simulations.

Carbon tunneling in the ring expansion of noradamantylchlorocarbene.

Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

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scholarly article

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10.1002/ANIE.201709943

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English

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Peter Schreiner

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2017-11-06T00:00:00Z

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29105929

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Computational Chemistry: The Fate of Current Methods and Future Challenges.

about

P2860

P2860

Computational Chemistry: The Fate of Current Methods and Future Challenges.

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P1476

P2093

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P577

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P1433

P1476

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P2860

P31

P356

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P577

P698