Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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Ab initio prediction of the polymorph phase diagram for crystalline methanol† †Electronic Supplementary Information (ESI) available: Discussion of the experimental uncertainties, additional modeling details, structure overlays, sensitivity analysis,

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Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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Theoretical predictions suggest carbon dioxide phases III and VII are identical.

@en

Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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P1476

Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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Jessica L McKinley

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

Watit Sontising

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Temperature effects on the universal equation of state of solids.

Generalized Gradient Approximation Made Simple

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Current status of the AMOEBA polarizable force field

Report on the sixth blind test of organic crystal structure prediction methods.

Automation of AMOEBA polarizable force field parameterization for small molecules

Physical and chemical transformations of highly compressed carbon dioxide at bond energies.

Modeling Polymorphic Molecular Crystals with Electronic Structure Theory.

Powder crystallography by combined crystal structure prediction and high-resolution 1H solid-state NMR spectroscopy.

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7374-7382

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scholarly article

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10.1039/C7SC03267F

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P478

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Gregory Beran

Yonaton N Heit

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2017-09-05T00:00:00Z

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29163888

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5672840

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Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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P2860

P2860

Theoretical predictions suggest carbon dioxide phases III and VII are identical.

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P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

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P31

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P50

P577

P698

P932