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。Many-body exchange-overlap interactions in rare gases and water
M. J. Gillan
JOURNAL OF CHEMICAL PHYSICS (2014)
Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
Stephen J. Cox et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Theoretical Study of the Binding Energy of a Methane Molecule in a (H2O)20 Dodecahedral Cage
Michael J. Deible et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2014)
Crystal structure and encapsulation dynamics of ice II-structured neon hydrate
Xiaohui Yu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)
Novel Hydrogen Hydrate Structures under Pressure
Guang-Rui Qian et al.
SCIENTIFIC REPORTS (2014)
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressures
Biswajit Santra et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Toward Determination of the New Hydrogen Hydrate Clathrate Structures
Grigory S. Smirnov et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Isotopic differentiation and sublattice melting in dense dynamic ice
Andreas Hermann et al.
PHYSICAL REVIEW B (2013)
Structural changes of filled ice Ic hydrogen hydrate under low temperatures and high pressures from 5 to 50 GPa
Hisako Hirai et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Wavefunction-based electron correlation methods for solids
Carsten Mueller et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
High pressure ices
Andreas Hermann et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
New phase in the water-hydrogen system
V. S. Efimchenko et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2011)
Phase Behavior of H2 + H2O at High Pressures and Low Temperatures
Timothy A. Strobel et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
Van der Waals density functionals applied to solids
Jiri Klimes et al.
PHYSICAL REVIEW B (2011)
Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures
Biswajit Santra et al.
PHYSICAL REVIEW LETTERS (2011)
Blueshifting the Onset of Optical UV Absorption for Water under Pressure
Andreas Hermann et al.
PHYSICAL REVIEW LETTERS (2011)
Higher-accuracy van der Waals density functional
Kyuho Lee et al.
PHYSICAL REVIEW B (2010)
Phase Transitions in the Water-Hydrogen System at Pressures up to 4.7 kbar
Vladimir E. Antonov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
DFT and Local-MP2 Periodic Study of the Structure and Stability of Two Proton-Ordered Polymorphs of Ice
Alessandro Erba et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
Structural changes of filled ice Ic structure for hydrogen hydrate under high pressure
Shin-ichi Machida et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
High-pressure gas hydrates
J. S. Loveday et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Ground-State Properties of Crystalline Ice from Periodic Hartree-Fock Calculations and a Coupled-Cluster-Based Many-Body Decomposition of the Correlation Energy
Andreas Hermann et al.
PHYSICAL REVIEW LETTERS (2008)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Gas hydrates: A cleaner source of energy and opportunity for innovative technologies
P Englezos et al.
KOREAN JOURNAL OF CHEMICAL ENGINEERING (2005)
Dynamics of some He and Ar clathrate hydrates. Computer simulation study
GG Malenkov et al.
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY (2004)
Structural investigations of argon hydrates at pressures up to 10 kbar
AY Manakov et al.
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY (2004)
Van der Waals density functional for general geometries -: art. no. 246401
M Dion et al.
PHYSICAL REVIEW LETTERS (2004)
Fundamental principles and applications of natural gas hydrates
ED Sloan
NATURE (2003)
Structural changes of argon hydrate under high pressure
H Hirai et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Hydrogen clusters in clathrate hydrate
WL Mao et al.
SCIENCE (2002)
A critical note on density functional theory studies on rare-gas dimers
T van Mourik et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Pressure-induced phase changes of argon hydrate and methane hydrate at room temperature
H Hirai et al.
PROCEEDINGS OF THE JAPAN ACADEMY SERIES B-PHYSICAL AND BIOLOGICAL SCIENCES (2002)
A new gas hydrate structure
AV Kurnosov et al.
DOKLADY PHYSICAL CHEMISTRY (2001)
Argon hydrates: Structural studies at high pressures
AY Manakov et al.
DOKLADY PHYSICAL CHEMISTRY (2001)