D. Klug

发表

First-principles study of electron-phonon coupling in hole- and electron-doped diamonds in the virtual crystal approximation

Yanming Ma, Y. Niu, G. Zou, 2005 .

Difference in energy between cubic and hexagonal ice

D. Klug, Y. P. Handa, E. Whalley, 1986 .

Absence of amorphous forms when ice is compressed at low temperature

D. Klug, C. Manning, J. Molaison, 2019, Nature.

Rational design of high-efficiency thermoelectric materials with low band gap conductive polymers

John S. Tse, J. Tse, D. Klug, 2006 .

High‐density amorphous ice. IV. Raman spectrum of the uncoupled O–H and O–D oscillators

D. Klug, O. Mishima, E. Whalley, 1987 .

Phase stability and broken-symmetry transition of elemental lithium up to 140 GPa.

Roger Rousseau, J. Tse, D. Klug, 2005, Chemphyschem : a European journal of chemical physics and physical chemistry.

Structures of insulating phases of dense lithium.

Yansun Yao, J. Tse, D. Klug, 2009, Physical review letters.

Phase transitions in solid C60

J. Tse, D. Klug, Y. P. Handa, 1991 .

Lattice dynamics of methane and xenon hydrate: Observation of symmetry-avoided crossing by experiment and theory

C. Gutt, J. Tse, D. Klug, 2003 .

The Application of Raman Spectroscopy to the Study of Gas Hydrates

D. Klug, J. Ripmeester, C. Tulk, 2000 .

The pressure dependence of the infrared active vibrations in C60

D. Klug, J. Howard, D. A. Wilkinson, 1992 .

EFFECT OF PRESSURE ON THE STRUCTURE OF MOLECULES

D. Klug, E. Whalley, S. Ikawa, 1984 .

Comments on “Further evidence for the existence of two kinds of H-bonds in ice Ih” by Li et al

J. Tse, D. Klug, 1995 .

NMR shielding constants for hydrogen guest molecules in structure II clathrates.

D. Klug, J. Ripmeester, S. Alavi, 2005, The Journal of chemical physics.

Luminescent intrazeolitic Si nanoclusters: Size study by Si K and L2,3 x-ray absorption near-edge structure, x-ray photoelectron and photoluminescence spectroscopies

J. Tse, D. Klug, C. Ratcliffe, 1997 .

Crystal and electronic structure of superhard BC 5 : First-principles structural optimizations

J. Tse, D. Klug, Yansun Yao, 2009 .

Hydrogen bonding in glassy liquid water from Raman spectroscopic studies

D. Klug, J. Ripmeester, C. Tulk, 1998 .

Pressure Melting below the Glass Transition

D. Klug, O. Mishima, Y. P. Handa, 1986 .

Mechanical and Thermal Transport Properties of Clathrate Hydrates

J. Tse, D. Klug, 2022, Clathrate Hydrates.

X ‐ray and Neutron Diffraction and Scattering of Clathrate Hydrates

J. Tse, D. Klug, S. Takeya, 2022, Clathrate Hydrates.

Formation and structure of a dense octahedral glass.

H. Mao, J. Tse, R. Hemley, 2004, Physical review letters.

Direction of the dipole‐moment derivative of the O–H stretching vibrations of coupled O–D‐‐O–D pairs in H2O ice Ic

D. Klug, E. Whalley, 1987 .

Heat capacity and glass transition behavior of amorphous ice

D. Klug, Y. P. Handa, 1988 .

Phonon instabilities in rocksalt AgCl and AgBr under pressure studied within density functional theory

Yanming Ma, G. Zou, T. Cui, 2006 .

Stable methane hydrate above 2 GPa and the source of Titan's atmospheric methane

J. Loveday, J. Tse, D. Klug, 2001, Nature.

First-principles study of the mechanisms for the pressure-induced phase transitions in zinc-blende CuBr and CuI

Yanming Ma, J. Tse, D. Klug, 2004 .

Pressure-induced phonon instabilities in copper chloride

Yanming Ma, J. Tse, D. Klug, 2003 .

Structures and superconducting properties of the high-pressure IV and V phases of calcium from first principles

Jian Sun, John S. Tse, Yansun Yao, 2008 .

The longitudinal‐optic–tranverse‐optic mode splitting in ice Ih

J. Tse, D. Klug, E. Whalley, 1991 .

Pressure amorphized ices--an atomistic perspective.

J. Tse, D. Klug, 2012, Physical chemistry chemical physics : PCCP.

Dynamics and Structural Details of Amorphous Phases of Ice Determined by Incoherent Inelastic Neutron Scattering

D. Klug, C. Loong, C. Tulk, 1999 .

Measurement of infrared absorptivities and line shapes and the distortion of anvils in diamond-anvil cells

D. Klug, E. Whalley, A. Lavergne, 1988 .

Pressure-induced formation of molecular B2X4(μ-X)2 (X = Cl, Br, I) species.

D. Klug, S. Patchkovskii, Yansun Yao, 2011, Inorganic chemistry.

Structural phase transition in CaH2 at high pressures

Jesse S. Smith, J. Tse, D. Klug, 2007 .

Synthesis and Thermoelectric Properties of Polycarbazole, Polyindolocarbazole, and Polydiindolocarbazole Derivatives

M. Leclerc, J. Tse, D. Klug, 2007 .

Ground state structure of polymeric carbon monoxide with high energy density

R. Needs, D. Klug, C. Pickard, 2016, 1609.09595.

Hardness of nanocrystalline diamonds

J. Tse, D. Klug, Faming Gao, 2006 .

Dynamics of elemental lithium at megabar pressures

T. Iitaka, J. Tse, D. Klug, 2006 .

Structural prediction and phase transformation mechanisms in calcium at high pressure.

D. Klug, R. Martoňák, Yansun Yao, 2009, Physical review letters.

Core effects on the energetics of solid Li at high pressure

J. Tse, D. Klug, Yansun Yao, 2009 .

B4-B1 phase transition of GaN under isotropic and uniaxial compression

D. Klug, Y. Yao, 2013 .

Structural phase transitions in Si under hydrostatic and uniaxial compression

D. Klug, Y. Yao, 2012 .

Integrating solids and gases for attosecond pulse generation

P. Corkum, D. Villeneuve, S. Monchocé, 2017, Nature Photonics.

Intermediate range chemical ordering in amorphous and liquid water, Si, and Ge

D. Price, D. Klug, C. Benmore, 2005 .

Ground state structure of high-energy-density polymeric carbon monoxide

R. Needs, D. Klug, C. Pickard, 2017 .

Synthesis and characterization of a new structure of gas hydrate

D. Klug, C. Ratcliffe, J. Ripmeester, 2009, Proceedings of the National Academy of Sciences.

High-pressure phase transition and metallization in Ar(H2)2

D. Klug, Yansun Yao, Y. Yao, 2011 .

Stability of simple cubic calcium at high pressure: A first-principles study

D. Klug, R. Martoňák, S. Patchkovskii, 2010 .

Bonding in the epsilon-phase of high pressure oxygen

J. Tse, D. Klug, S. Desgreniers, 2008 .

Elastic properties of potential superhard phases of RuO 2

Zhi-Qiang Li, J. Tse, D. Klug, 2000 .

X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride

Zhi-Qiang Li, J. Tse, D. Klug, 2001 .

Guest disorder and high pressure behavior of argon hydrates

D. Klug, J. Parise, B. Chakoumakos, 2010 .

Laser Raman spectrum of calcified human aorta

D. Klug, V. Walley, D. Singleton, 1992, Lasers in surgery and medicine.

DISORDERED SOLIDS AS FILTERS FOR THE FAR INFRARED

D. Klug, P. Wong, E. Whalley, 1972 .

Highly soluble poly(2,7-carbazolenevinylene) for thermoelectrical applications : From theory to experiment

M. Leclerc, J. Tse, D. Klug, 2005 .

New Conjugated Polymers Derived from Carbazole as Thermoelectric Materials

M. Leclerc, J. Tse, D. Klug, 2005 .

Reversible amorphization and structural memory effect in clathrasil dodecasil-3c

J. Tse, D. Klug, 1995 .

Structural Memory in Pressure-Amorphized AlPO4

J. Tse, D. Klug, 1992, Science.

Disorder-induced piezoelectric and piezo-optic effects: II. Piezoelectric effects in amorphous germanium dioxide, arsenic, and boric oxide

D. Klug, E. Whalley, 1989 .

Origin of the high integrated infrared intensity of the O-H stretching vibrations in ice I relative to the vapor

D. Klug, E. Whalley, 1986 .

Disorder‐induced piezoelectric and piezo‐optic effects. I. The theory of the piezoelectric properties and its application to ice

D. Klug, E. Whalley, 1984 .

The uncoupled O-H stretch in ice VII. The infrared frequency and integrated intensity up to 189 kbar

D. Klug, E. Whalley, 1984 .

Origin of the High-Frequency Translational Bands of Ice I

D. Klug, E. Whalley, 1978, Journal of Glaciology.

Optical Spectra of Orientationally Disordered Crystals. IV. Effects of Short-Range Correlation of Orientations

D. Klug, E. Whalley, 1972 .

High-pressure phase transition observed in barium hydride

Jesse S. Smith, J. Tse, D. Klug, 2007 .

Controlling the bonding and band gaps of solid carbon monoxide with pressure.

R. Needs, D. Klug, C. Pickard, 2011, Physical review letters.

Structural systematics in the clathrate hydrates under pressure

J. Loveday, J. Tse, D. Klug, 2003 .

Transition from cage clathrate to filled ice: the structure of methane hydrate III.

J. Loveday, J. Tse, D. Klug, 2001, Physical review letters.

Transition from Cage Clathrate to Filled Ice

J. Loveday, J. Tse, D. Klug, 2001 .

Encapsulation of Silicon Nanoclusters in Zeolite Y

D. Klug, C. Ratcliffe, J. Ripmeester, 1998 .

The far‐infrared spectrum of ice Ih in the range 8–25 cm−1. Sound waves and difference bands, with application to Saturn’s rings

Osamu Mishima, D. Klug, O. Mishima, 1983 .

Effective charges of amorphous silicon, germanium, arsenic, and ice

D. Klug, E. Whalley, 1982 .

Direct determination of the intramolecular O–D distance in ice Ih and Ic by neutron diffraction

V. F. Sears, D. Klug, E. Hallman, 1987, Nature.

Pressure‐induced phase transitions in clathrate hydrates

J. Tse, D. Klug, Y. P. Handa, 1991 .

The Rotational Oscillations of Tetrahydrofuran in Tetrahydrofuran Clathrate Hydrate

D. Klug, E. Whalley, 1973 .

Compton scattering of elemental silicon at high pressure

J. Tse, D. Klug, D. Jiang, 2005 .

RAMAN STUDY OF THE METHANE + TBME MIXED HYDRATE IN A DIAMOND ANVIL

D. Klug, J. Ripmeester, P. Englezos, 2008 .

The structure of methane hydrate under geological conditions a combined Rietveld and maximum entropy analysis.

C. Gutt, J. Tse, D. Klug, 2004, The Journal of chemical physics.

Evidence for phase separation during the crystallization of hyperquenched glassy clathrate hydrate forming solutions

D. Klug, J. Ripmeester, C. Tulk, 1999 .

Transformation of ice VIII to amorphous ice by ‘‘melting’’ at low temperature

J. Tse, D. Klug, Y. P. Handa, 1989 .

A structural study of very high-density amorphous ice using x-ray and neutron diffraction.

D. Klug, C. Benmore, M. Guthrie, 2004 .

Direct structural measurements of relaxation processes during transformations in amorphous ice

D. Klug, C. Benmore, M. Guthrie, 2003 .

Condensed-matter physics: Dense ice in detail

D. Klug, 2002, Nature.

Investigation of the intermediate- and high-density forms of amorphous ice by molecular dynamics calculations and diffraction experiments

J. Tse, D. Klug, C. Benmore, 2005 .

A structural comparison of supercooled water and intermediate density amorphous ices

D. Klug, C. Benmore, S. McLain, 2004 .

On the pressure-induced phase transformation in the structure II clathrate hydrate of tetrahydrofuran

D. Klug, J. Ripmeester, M. Zakrzewski, 1994 .

A 1H and 2H nuclear magnetic resonance study of amorphous ices at 77 K

D. Klug, C. Ratcliffe, J. Ripmeester, 1992 .

Some aspects of hydrogen bonding in the phases of water

V. F. Sears, D. Klug, Y. P. Handa, 1991 .

Nature of the transformations of ice i and low-density amorphous ice to high-density amorphous ice

D. Klug, M. Floriano, Y. P. Handa, 1990 .

Entropy of amorphous ice as determined by a new thermodynamic method

D. Klug, Y. P. Handa, E. Whalley, 1990 .

Nature of the transformations of ice I and low‐density amorphous ice to high‐density amorphous ice

D. Klug, M. Floriano, Y. P. Handa, 1989 .

The dynamic longitudinal charge of the hydrogen atoms in ice X

D. Klug, E. Whalley, 1985 .

Effect of pressure on molecular conformations. IV: The flattening of trithiane as measured by its infrared spectrum

D. Klug, E. Whalley, P. G. Sim, 1984 .

Hindered Internal Rotation and Dielectric Relaxation

D. Klug, D. Kranbuehl, W. Vaughan, 1970 .

EFFECT OF PRESSURE ON MOLECULAR CONFORMATIONS. 4. THE FLATTENING OF TRITHIANE E AS MEASURED BY ITS INFRARED SPECTRUM

D. Klug, E. Whalley, P. G. Sim, 1984 .

Nitrite and nitrate ions as infrared pressure gauges for diamond anvils

D. Klug, E. Whalley, 1983 .

High-density strontium hydride: An experimental and theoretical study

Jesse S. Smith, J. Tse, D. Klug, 2009 .

High pressure structural changes in aluminium triiodide: A first principles study.

A. Majumdar, D. Klug, Yansun Yao, 2016, The Journal of chemical physics.

Crystal structure and infrared spectra of an inclusion compound of cyclotriveratrylene and water

J. Tse, D. Klug, J. Ripmeester, 1985 .

Effect of hydrogen bonding on the direction of the dipole‐moment derivative of the O–H bond in the water molecule

D. Klug, E. Whalley, 1986 .

Structural Studies of Several Distinct Metastable Forms of Amorphous Ice

D. Klug, C. Benmore, J. Neuefeind, 2002, Science.

Two‐Temperature Pair Potentials and Phonon Spectra for Simple Metals in the Warm Dense Matter Regime

D. Klug, L. J. Lewis, M. Dharma-wardana, 2015, 1503.05417.

The role of non-deformable units in pressure-induced reversible amorphization of clathrasils

J. Tse, D. Klug, J. Ripmeester, 1994, Nature.

Raman spectrum of NH4ReO4 at high pressure

R. J. Brown, D. Klug, P. G. Sim, 1982 .

Dimerization of boron triiodide at high pressure

D. Klug, R. Martoňák, S. Patchkovskii, 2011 .

The structure and dynamics of silica polymorphs using a two-body effective potential model

J. Tse, D. Klug, 1991 .

Mechanical instability of α-quartz: A molecular dynamics study

J. Tse, D. Klug, 1991 .

High-pressure four-coordinated structure of SiO2

J. Tse, D. Klug, M. Bernasconi, 1997 .

First-principles studies of pressure-induced phase transitions in SiO2

J. Tse, D. Klug, M. Geshi, 2002 .

Theoretical study of new superhard materials : B4C3

J. Tse, D. Klug, F. Gao, 2007 .

Theoretical analysis of high-harmonic generation in solids.

P. Corkum, D. Klug, T. Brabec, 2014, Physical review letters.

Cage occupancies in the high pressure structure H methane hydrate: a neutron diffraction study.

D. Klug, M. Guthrie, J. Molaison, 2012, The Journal of chemical physics.

Molecular dynamics study of the stability of methane structure H clathrate hydrates.

D. Klug, J. Ripmeester, S. Alavi, 2007, The Journal of chemical physics.

Low-pressure synthesis and characterization of hydrogen-filled ice Ic.

D. Klug, C. Ratcliffe, J. Ripmeester, 2013, Angewandte Chemie.

Raman Spectroscopic Studies of THF Clathrate Hydrate

D. Klug, J. Ripmeester, C. Tulk, 1998 .

Molecular Correlation Functions and Dielectric Relaxation

D. Klug, D. Kranbuehl, W. Vaughan, 1969 .

Layered polysilane: thermolysis and photoluminescence

J. Tse, D. Klug, K. F. Preston, 1998 .

Using coherent phonons for ultrafast control of the Dirac node of SrMnSb2

D. Klug, K. Dani, Z. Mao, 2018, Physical Review B.

STRUCTURE AND DYNAMICS OF LIQUID SULPHUR

J. Tse, D. Klug, 1999 .

Stable structures of tantalum at high temperature and high pressure

D. Klug, Yansun Yao, 2013 .

Collapsing cristobalitelike structures in silica analogues at high pressure.

J. Tse, D. Klug, J. Haines, 2003, Physical review letters.

Electronic and crystal structures of osmium under high pressure

Yanming Ma, G. Zou, T. Cui, 2005 .

Persistence and eventual demise of oxygen molecules at terapascal pressures.

R. Needs, D. Klug, C. Pickard, 2011, Physical review letters.

Reevaluation of Type I Diamonds for Infrared and Raman Spectroscopy in High-Pressure Diamond Anvil Cells

D. Klug, P. Wong, 1983 .

Molecular-dynamics study of structure II hydrogen clathrates.

Saman Alavi, D. Klug, J. Ripmeester, 2005, The Journal of chemical physics.

Theoretical studies on the thermopower of semiconductors and low-band-gap crystalline polymers

J. Tse, D. Klug, S. Patchkovskii, 2005 .

X-ray Raman spectroscopic study of water in the condensed phases.

J. Tse, D. Klug, S. Patchkovskii, 2008, Physical review letters.

Liquid-Liquid Phase Transitions in Silicon.

D. Klug, M. Dharma-wardana, Richard C. Remsing, 2020, Physical review letters.

Doming modes and dynamics of model heme compounds

J. Tse, R. Hemley, D. Klug, 2002, Proceedings of the National Academy of Sciences of the United States of America.

All-Optical Reconstruction of Crystal Band Structure.

P. Corkum, D. Klug, B. Schmidt, 2015, Physical review letters.

Prediction of a bcc–hcp phase transition for Sn: A first-principles study

D. Klug, Yansun Yao, 2011 .

Theoretical investigation of the electronic structure and transport properties of Na1+xCo2O4

J. Tse, D. Klug, Xingtao Gao, 2004 .

X‐ray diffraction and x‐ray absorption studies of porous silicon, siloxene, heat‐treated siloxene, and layered polysilane

B. Way, J. Dahn, J. Tse, 1994 .

The nature of encapsulated silicon nanoclusters in zeolite Y

J. Tse, D. Klug, C. Ratcliffe, 1999 .

Energies of the phases of ice at low temperature and pressure relative to ice Ih

D. Klug, Y. P. Handa, E. Whalley, 1988 .

Stability of doubly occupied N2 clathrate hydrates investigated by molecular dynamics simulations

J. Tse, D. Klug, J. Michels, 2001 .

The mechanisms for pressure-induced amorphization of ice Ih

Y. Kawazoe, I. Swainson, J. Tse, 1999, Nature.

Stability of rare gas structure H clathrate hydrates.

D. Klug, J. Ripmeester, S. Alavi, 2006, The Journal of chemical physics.

Structure and electronic properties of at high pressure

Jesse S. Smith, J. Tse, D. Klug, 2009 .

Structural transformations in carbon under extreme pressure: beyond diamond.

D. Klug, R. Martoňák, Jian Sun, 2009, The Journal of chemical physics.

Structure and spectroscopic properties of dense solid hydrogen at 160 GPa

J. Rodgers, J. Tse, D. Klug, 2008 .

Ab initio molecular dynamics study of the pressure-induced phase transformations in cristobalite

J. Tse, D. Klug, R. Rousseau, 2001 .

Molecular-dynamics simulations of binary structure II hydrogen and tetrahydrofurane clathrates.

D. Klug, J. Ripmeester, S. Alavi, 2006, The Journal of chemical physics.

Multiscale simulation of material removal processes at the nanoscale

Behrouz Shiari, Ronald E. Miller, B. Shiari, 2007 .

The structure of CO₂ hydrate between 0.7 and 1.0 GPa.

D. Klug, H. Lu, M. Guthrie, 2014, The Journal of chemical physics.

Dynamics of Kr in dense clathrate hydrates

J. Tse, D. Klug, E. Alp, 2011 .

Hydrogen-bond dynamics and Fermi resonance in high-pressure methane filled ice.

J. Tse, R. Hemley, D. Klug, 2006, The Journal of chemical physics.

Electronic stucture of methane hydrate studied by Compton scattering

C. Gutt, J. Tse, D. Klug, 2006 .

X-Ray absorption and photoelectron spectroscopic observation of intrazeolitic silicon nanoclusters

J. Tse, D. Klug, K. F. Preston, 1997 .

Recent Trends for the Design and Optimization of Thermoelectric Materials — A Theoretical Perspective

J. Tse, D. Klug, 2005 .

Anharmonic motions of Kr in the clathrate hydrate

C. Gutt, J. Tse, D. Klug, 2005, Nature materials.

The relation between simple analytic models for optical spectra of disordered solids

D. Klug, E. Whalley, 1979 .

Ordering and Clathrate Hydrate Formation in Co‐deposits of Xenon and Water at Low Temperatures

D. Klug, C. Ratcliffe, J. Ripmeester, 2003 .

A Clathrate Hydrate of Formaldehyde

D. Klug, J. Ripmeester, ‡§ and L. Ding, 1996 .

Low-frequency modes in amorphous ice

V. F. Sears, D. Klug, E. Svensson, 1994 .

Thermal conductivity of Xe clathrate hydrate at low temperatures

J. Tse, D. Klug, W. Press, 2006 .

Formation and Decomposition Mechanisms for Clathrate Hydrates

J. Tse, D. Klug, 2002 .

Erratum: Modeling the atomic structure of very high-density amorphous ice [Phys. Rev. B 72, 012201 (2005)]

D. Klug, S. Taraskin, C. Benmore, 2006 .

Modeling the atomic structure of very high-density amorphous ice

D. Klug, S. Taraskin, C. Benmore, 2004, cond-mat/0412575.

Absence of amorphous forms when ice is compressed at low temperature

D. Klug, C. Manning, J. Molaison, 2019, Nature.

High-pressure polymeric phases of carbon dioxide

D. Klug, E. Tosatti, R. Martoňák, 2009, Proceedings of the National Academy of Sciences.

Stable structures of He and H 2 O at high pressure

D. Klug, Hanyu Liu, Yansun Yao, 2015 .

Stable all-nitrogen metallic salt at terapascal pressures.

R. Needs, D. Klug, C. Pickard, 2012, Physical review letters.

Isotopic quantum effects on the structure of low density amorphous ice

D. Klug, C. Benmore, P. A. Egelstaff, 2003 .

Thermodynamic discontinuity between low-density amorphous ice and supercooled water.

J. Tse, D. Klug, P. Rodger, 2002, Physical review letters.

Effect of external stress on the patterning of nanostructures: a kinetic Monte Carlo simulation of Ta deposited on anistropically compressed Ta(1 0 0) surfaces

J. Tse, D. Klug, Gwang-Soo Kim, 2004 .

Dense Carbon Monoxide to 160 GPa: Stepwise Polymerization to Two-Dimensional Layered Solid.

D. Klug, C. Yoo, Jinhyuk Lim, 2016 .

Structural phase transitions induced by pressure in ammonium borohydride.

D. Klug, C. Ratcliffe, S. Desgreniers, 2012, Physical chemistry chemical physics : PCCP.

Structure and dynamics of ammonium borohydride.

Peter J. Pallister, D. Klug, C. Ratcliffe, 2010, Chemical communications.

Strong-field optoelectronics in solids

P. Corkum, D. Villeneuve, D. Klug, 2018, Nature Photonics.

Strong-field optoelectronics in solids

P. Corkum, D. Villeneuve, D. Klug, 2018, Nature Photonics.

Raman spectrum of high-density amorphous ice

D. Klug, O. Mishima, E. Whalley, 1986 .

Molecular Dynamics Studies of High Pressure Transformations and Structures

J. Tse, D. Klug, 1999 .

Experimental Studies of Internal Field Effects on the Dielectric Properties of Anisole–Benzene and Other Mixtures

D. Klug, D. Kranbuehl, W. Vaughan, 1969 .

Molecular dynamics simulation study of the properties of doubly occupied N2 clathrate hydrates

J. Tse, D. Klug, J. Michels, 2001 .

Metallization of solid hydrogen: the challenge and possible solutions.

D. Klug, Yansun Yao, 2011, Physical chemistry chemical physics : PCCP.

Orientation-dependent multiphoton ionization in wide band gap crystals.

P. Corkum, D. Klug, M. Gertsvolf, 2008, Physical review letters.

Electron-phonon coupling ofα−Gaboron

Yanming Ma, R. Ahuja, J. Tse, 2004 .

Simulations of structure II H2 and D2 clathrates: potentials incorporating quantum corrections.

D. Klug, J. Ripmeester, S. Alavi, 2008, The Journal of chemical physics.

Molecular dynamics simulations of binary structure H hydrogen and methyl-tert-butylether clathrate hydrates.

D. Klug, J. Ripmeester, S. Alavi, 2006, The Journal of chemical physics.

Adsorption sites and rotational tunneling of methyl groups in cubic I methyl fluoride water clathrate.

J. Tse, D. Klug, W. Press, 2005, Physical chemistry chemical physics : PCCP.

Evidence from molecular dynamics simulations for non-metallic behaviour of solid hydrogen above 160 GPa

J. Tse, D. Klug, 1995, Nature.

Phonon instabilities in high-pressure bcc-fcc and the isostructural fcc-fcc phase transitions of Cs

Zhi-Qiang Li, J. Tse, D. Klug, 2000 .

Formation of amorphous ice by careful annealing of ice XII

D. Klug, C. Tulk, 2001 .

NMR and X-ray Spectroscopy of Sodium−Silicon Clathrates†

J. Tse, D. Klug, K. Uehara, 2001 .

ANOMALOUS ISOSTRUCTURAL TRANSFORMATION IN ICE VIII

J. Tse, D. Klug, 1998 .

Pair potentials for warm dense matter and their application to x-ray Thomson scattering in aluminum and beryllium.

D. Klug, L. J. Lewis, M. Dharma-wardana, 2016, Physical review. E.

Finite temperature multiscale computational modeling of materials at nanoscale

B. Shiari, R.E. Miller, D.D. Klug, 2005, 2005 International Conference on MEMS,NANO and Smart Systems.

Origin of the effective charges of amorphous silicon and germanium

D. Klug, E. Whalley, 1977 .

PHASE TRANSITIONS OF ICE V AND VI

D. Klug, Y. P. Handa, E. Whalley, 1987 .

Comment on "New metallic carbon crystal".

T. Iitaka, J. Tse, D. Klug, 2009, Physical review letters.

Generation of high harmonics from silicon

P. Corkum, D. Klug, B. Schmidt, 2016, 1605.06345.

Silane plus molecular hydrogen as a possible pathway to metallic hydrogen

Yansun Yao, D. Klug, Yansun Yao, 2010, Proceedings of the National Academy of Sciences.

Computer simulations of the dynamics of doubly occupied N2 clathrate hydrates

J. Tse, D. Klug, J. Michels, 2002 .

Entropy of amorphous ice

D. Klug, Y. P. Handa, E. Whalley, 1989, Nature.

NRC Publications Archive Archives des publications du CNRC

Bing-Lan Liu, Y. Tzeng, D. Klug, 2011 .

Effects of source noise in Fourier-transform spectroscopy*

E. Whalley, D. Klug, E. Whalley, 1974 .

Molecular Perspectives on Structure and Dynamics in Clathrate Hydrates

J. Tse, D. Klug, C. Ratcliffe, 1994 .

The far‐infrared spectrum of ice VIII

D. Klug, E. Whalley, S. Tay, 1985 .

Influence of Molecular Shape on Dielectric Relaxation

D. Klug, W. Vaughan, 1972 .

Anomalous transformations in ice VIII

J. Tse, R. Hemley, D. Klug, 2004 .

Elastic properties of methane hydrate at high pressures

C. Gutt, J. Tse, D. Klug, 2005 .