Comparison of Various Means of Evaluating Molecular Electrostatic Potentials for Noncovalent Interactions.

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Comparison of Various Means of Evaluating Molecular Electrostatic Potentials for Noncovalent Interactions.

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2017 nî lūn-bûn

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2017年学术文章

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2017年学术文章

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Comparison of Various Means of ...... for Noncovalent Interactions.

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Comparison of Various Means of ...... for Noncovalent Interactions.

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Comparison of Various Means of ...... for Noncovalent Interactions.

@en

Comparison of Various Means of ...... for Noncovalent Interactions.

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Comparison of Various Means of ...... for Noncovalent Interactions.

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Comparison of Various Means of ...... for Noncovalent Interactions.

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P1476

Comparison of Various Means of ...... s for Noncovalent Interactions

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P2093

Steve Scheiner

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P2860

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.

On the role of charge transfer in halogen bonding.

Highly Selective Halide Receptors Based on Chalcogen, Pnicogen, and Tetrel Bonds.

Anion Recognition by Pyrylium Cations and Thio-, Seleno- and Telluro- Analogues: A Combined Theoretical and Cambridge Structural Database Study.

Expansion of the sigma-hole concept.

Tetrel bond-σ-hole bond as a preliminary stage of the SN2 reaction.

Energy Decomposition Analysis with a Stable Charge-Transfer Term for Interpreting Intermolecular Interactions.

Quantum Chemical Dissection of the Shortest P=O⋅⋅⋅I Halogen Bond: The Decisive Role of Crystal Packing Effects.

Boron as an Electron-Pair Donor for B⋅⋅⋅Cl Halogen Bonds.

P304

500-510

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P31

scholarly article

P356

10.1002/JCC.25085

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P433

http://www.w3.org/2001/XMLSchema#string

P478

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P50

Steve Scheiner

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2017-10-30T00:00:00Z

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P698

29083034

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