Are dispersion corrections accurate outside equilibrium? A case study on benzene.

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Are dispersion corrections accurate outside equilibrium? A case study on benzene.

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2018 nî lūn-bûn

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2018年学术文章

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Are dispersion corrections accurate outside equilibrium? A case study on benzene.

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Are dispersion corrections accurate outside equilibrium? A case study on benzene.

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Are dispersion corrections accurate outside equilibrium? A case study on benzene.

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Are dispersion corrections accurate outside equilibrium? A case study on benzene.

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Are dispersion corrections accurate outside equilibrium? A case study on benzene.

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Are dispersion corrections accurate outside equilibrium? A case study on benzene.

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P1476

Are dispersion corrections accurate outside equilibrium? A case study on benzene

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P2093

Erin R Johnson

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

Sherif Abdulkader Tawfik

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

Tim Gould

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

P2860

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Reproducibility in density functional theory calculations of solids.

Collective many-body van der Waals interactions in molecular systems.

First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications.

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.

P304

1181-1191

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scholarly article

P356

10.3762/BJOC.14.99

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P478

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

P50

Tim Gould

Erin Johnson

Sherif Abdulkader Tawfik

P577

2018-05-23T00:00:00Z

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P698

29977385

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6009208

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