4.6 Article

Clathrate ice sL: a new crystalline phase of ice with ultralow density predicted by first-principles phase diagram computations

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Perspective: How good is DFT for water?

Michael J. Gillan et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

Raman and IR Spectra of Ice Ih and Ice XI with an Assessment of DFT Methods

Yuan Liu et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2016)

Article Multidisciplinary Sciences

A new phase diagram of water under negative pressure: The rise of the lowest-density clathrate s-III

Yingying Huang et al.

SCIENCE ADVANCES (2016)

Article Chemistry, Physical

CH-Stretching Vibrational Trends in Natural Gas Hydrates Studied by Quantum-Chemical Computations

Yuan Liu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Physics, Multidisciplinary

Strongly Constrained and Appropriately Normed Semilocal Density Functional

Jianwei Sun et al.

PHYSICAL REVIEW LETTERS (2015)

Review Multidisciplinary Sciences

The structural origin of anomalous properties of liquid water

Anders Nilsson et al.

NATURE COMMUNICATIONS (2015)

Article Multidisciplinary Sciences

Formation and properties of ice XVI obtained by emptying a type sII clathrate hydrate

Andrzej Falenty et al.

NATURE (2014)

Article Materials Science, Multidisciplinary

Synthesis and optical band gaps of alloyed Si-Ge type II clathrates

Lauryn L. Baranowski et al.

JOURNAL OF MATERIALS CHEMISTRY C (2014)

Article Chemistry, Physical

Vibrational modes of hydrogens in the proton ordered phase XI of ice: Raman spectra above 400 cm-1

Takeshi Shigenari et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Multidisciplinary Sciences

New silica clathrate minerals that are isostructural with natural gas hydrates

Koichi Momma et al.

NATURE COMMUNICATIONS (2011)

Article Chemistry, Physical

Equation of state of water under negative pressure

Kristina Davitt et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Isomorphism between ice and silica

Gareth A. Tribello et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2010)

Article Materials Science, Multidisciplinary

Higher-accuracy van der Waals density functional

Kyuho Lee et al.

PHYSICAL REVIEW B (2010)

Article Chemistry, Physical

A theoretical examination of known and hypothetical clathrate hydrate materials

Gareth A. Tribello et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

The phase diagram of water at negative pressures: Virtual ices

M. M. Conde et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Thermodynamic Stability and Growth of Guest-Free Clathrate Hydrates: A Low-Density Crystal Phase of Water

Liam C. Jacobson et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2009)

Article Chemistry, Physical

Bubbles and microporous frameworks of silicon carbide

M. B. Watkins et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Construction of nano- and microporous frameworks from octahedral bubble clusters

S. M. Woodley et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Water cavities of sH clathrate hydrate stabilized by molecular hydrogen

Timothy A. Strobel et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

Article Chemistry, Physical

Water cavities of sH clathrate hydrate stabilized by molecular hydrogen: Phase equilibrium measurements

Ana Rita C. Duarte et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2008)

Review Chemistry, Physical

Crystal structure prediction from first principles

Scott M. Woodley et al.

NATURE MATERIALS (2008)

Review Chemistry, Multidisciplinary

Hydrogen storage in molecular clathrates

Viktor V. Struzhkin et al.

CHEMICAL REVIEWS (2007)

Article Chemistry, Multidisciplinary

Unusual crystalline and polycrystalline structures in methane hydrates

Jenel Vatamanu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

Article Multidisciplinary Sciences

A guest-free germanium clathrate

Arnold M. Guloy et al.

NATURE (2006)

Article Chemistry, Physical

Predicting crystal structure by merging data mining with quantum mechanics

Christopher C. Fischer et al.

NATURE MATERIALS (2006)

Article Chemistry, Multidisciplinary

Clathrate hydrogen hydrate - A promising material for hydrogen storage

YH Hu et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)

Article Chemistry, Physical

A general purpose model for the condensed phases of water: TIP4P/2005

JLF Abascal et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Review Chemistry, Multidisciplinary

GROMACS: Fast, flexible, and free

D Van der Spoel et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)

Article Chemistry, Physical

Anharmonic motions of Kr in the clathrate hydrate

JS Tse et al.

NATURE MATERIALS (2005)

Article Multidisciplinary Sciences

Hydrogen storage in molecular compounds

WL Mao et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2004)

Article Biology

Water? What's so special about it?

JL Finney

PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY B-BIOLOGICAL SCIENCES (2004)

Article Multidisciplinary Sciences

Stable low-pressure hydrogen clusters stored in a binary clathrate hydrate

LJ Florusse et al.

SCIENCE (2004)

Article Physics, Multidisciplinary

Crystal-liquid phase relations in silicon at negative pressure

M Wilson et al.

PHYSICAL REVIEW LETTERS (2003)

Article Physics, Multidisciplinary

Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

CJ Rawn et al.

CANADIAN JOURNAL OF PHYSICS (2003)

Article Multidisciplinary Sciences

Hydrogen clusters in clathrate hydrate

WL Mao et al.

SCIENCE (2002)

Article Chemistry, Physical

The structure of deuterated methane-hydrate

C Gutt et al.

JOURNAL OF CHEMICAL PHYSICS (2000)