4.7 Article

Systematic comparison of crystalline and amorphous phases: Charting the landscape of water structures and transformations

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Connecting the Water Phase Diagram to the Metastable Domain: High-Pressure Studies in the Supercooled Regime

Samuele Fanetti et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Multidisciplinary Sciences

Theory of amorphous ices

David T. Limmer et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)

Article Chemistry, Physical

Structural cluster analysis of chemical reactions in solution

Gregoire A. Gallet et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Terminal Oxygens in Amorphous TeO2

Emma R. Barney et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)

Review Physics, Condensed Matter

Ab initio random structure searching

Chris J. Pickard et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2011)

Article Physics, Multidisciplinary

Graph Theory Meets Ab Initio Molecular Dynamics: Atomic Structures and Transformations at the Nanoscale

Fabio Pietrucci et al.

PHYSICAL REVIEW LETTERS (2011)

Article Multidisciplinary Sciences

Simplifying the representation of complex free-energy landscapes using sketch-map

Michele Ceriotti et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)

Article Chemistry, Multidisciplinary

Crystal fingerprint space - a novel paradigm for studying crystal-structure sets

Mario Valle et al.

ACTA CRYSTALLOGRAPHICA SECTION A (2010)

Article Materials Science, Multidisciplinary

Crystal structure prediction via particle-swarm optimization

Yanchao Wang et al.

PHYSICAL REVIEW B (2010)

Article Computer Science, Artificial Intelligence

A simple and fast algorithm for K-medoids clustering

Hae-Sang Park et al.

EXPERT SYSTEMS WITH APPLICATIONS (2009)

Article Chemistry, Physical

How to quantify energy landscapes of solids

Artem R. Oganov et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Metadynamics simulations of ice nucleation and growth

D. Quigley et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Materials Science, Multidisciplinary

TeO2 glass properties from first principles

F. Pietrucci et al.

PHYSICAL REVIEW B (2008)

Review Physics, Condensed Matter

Amorphous ices: experiments and numerical simulations

Thomas Loerting et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2006)

Article Computer Science, Interdisciplinary Applications

USPEX - Evolutionary crystal structure prediction

Colin W. Glass et al.

COMPUTER PHYSICS COMMUNICATIONS (2006)

Article Chemistry, Physical

Crystal structure transformations in SiO2 from classical and ab initio metadynamics

Roman Martonak et al.

NATURE MATERIALS (2006)

Article Physics, Multidisciplinary

Temperature-induced topological differentiation of the two high-density amorphous ices

AM Saitta et al.

EUROPHYSICS LETTERS (2006)

Article Chemistry, Multidisciplinary

CMPZ -: an algorithm for the efficient comparison of periodic structures

R Hundt et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2006)

Article Chemistry, Physical

Topological defects and bulk melting of hexagonal ice

D Donadio et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

Article Physics, Multidisciplinary

Phase diagram of water from computer simulation

E Sanz et al.

PHYSICAL REVIEW LETTERS (2004)

Article Physics, Multidisciplinary

Polyamorphism of ice at low temperatures from constant-pressure simulations -: art. no. 225702

R Martonák et al.

PHYSICAL REVIEW LETTERS (2004)

Article Chemistry, Physical

High density amorphous ices:: Disordered water towards close packing

AM Saitta et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Materials Science, Ceramics

Vibrational and structural properties of glass and crystalline phases of TeO2

O Noguera et al.

JOURNAL OF NON-CRYSTALLINE SOLIDS (2003)

Article Chemistry, Multidisciplinary

Nucleation of hexagonal ice (Ih) in liquid water

R Radhakrishnan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Physics, Multidisciplinary

Predicting crystal structures:: The Parrinello-Rahman method revisited -: art. no. 075503

R Martonák et al.

PHYSICAL REVIEW LETTERS (2003)

Article Crystallography

Recrystallisation of HDA ice under pressure by in-situ neutron diffraction to 3.9 GPa

S Klotz et al.

ZEITSCHRIFT FUR KRISTALLOGRAPHIE (2003)

Article Multidisciplinary Sciences

Escaping free-energy minima

A Laio et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2002)

Article Chemistry, Physical

Structure of alkali tellurite glasses from neutron diffraction and molecular orbital calculations

H Niida et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Physics, Multidisciplinary

Crystal-like high frequency phonons in the amorphous phases of solid water

H Schober et al.

PHYSICAL REVIEW LETTERS (2000)