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51

Modelling of hydrogen adsorption in the metal organic framework MOF5

F.M. Mulder, T.J. Dingemans, M. Wagemaker, G.J. Kearley

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 256 KB

english, 2005

52

Softening of the potential-energy surface in polymer electrolytes on the addition of nanoparticles

Lambert van Eijck, Adam S. Best, John Stride, Gordon J. Kearley

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 275 KB

english, 2005

53

Combining simulations and neutron scattering experiments: from models to systems of biological and technological interest

Miguel Gonzalez, Mark Johnson, Gordon J. Kearley, Tarek Mounir

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 61 KB

english, 2005

54

Hydrogen adsorption strength and sites in the metal organic framework MOF5: Comparing experiment and model calculations

F.M. Mulder, T.J. Dingemans, H.G. Schimmel, A.J. Ramirez-Cuesta, G.J. Kearley

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 228 KB

english, 2008

55

Periodic structural fluctuations during the solidification of aluminum alloys studied by neutron diffraction

N Iqbal, N.H van Dijk, V.W.J Verhoeven, T Hansen, L Katgerman, G.J Kearley

Journal:

Materials Science and Engineering: A

Year:

2004

Language:

english

File:

PDF, 546 KB

english, 2004

56

The role of solute titanium and TiB2 particles in the liquid–solid phase transformation of aluminum alloys

N. Iqbal, N.H. van Dijk, T. Hansen, L. Katgerman, G.J. Kearley

Journal:

Materials Science and Engineering: A

Year:

2004

Language:

english

File:

PDF, 143 KB

english, 2004

57

The vibrational spectrum of magnesium hydride from inelastic neutron scattering and density functional theory

H.G. Schimmel, M.R. Johnson, G.J. Kearley, A.J. Ramirez-Cuesta, J. Huot, F.M. Mulder

Journal:

Materials Science and Engineering: B

Year:

2004

Language:

english

File:

PDF, 96 KB

english, 2004

58

Observation of magnetic transition around room temperature in the spinel Li[Mn1.96Li0.04]O4 by inelastic neutron scattering

A.J.M Schmets, G.J Kearley, H Mutka, I.M de Schepper

Journal:

Physica B: Condensed Matter

Year:

2004

Language:

english

File:

PDF, 258 KB

english, 2004

59

Local structure in a polymer-electrolyte model system with and without nanoparticles

Gordon J Kearley, Lambert van Eijck, Ad A van Well

Journal:

Physica B: Condensed Matter

Year:

2004

Language:

english

File:

PDF, 220 KB

english, 2004

60

Instrumentation for neutron spectroscopy

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 548 KB

english, 1992

61

Foreword

J. Eckert, G.J. Kearley

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 199 KB

english, 1992

62

Dynamics of hydrogen bonding disorder in β-cyclodextrin undecahydrate

Th. Steiner, W. Saenger, G. Kearley, R.E. Lechner

Journal:

Physica B: Condensed Matter

Year:

1989

Language:

english

File:

PDF, 288 KB

english, 1989

63

NH+4 dynamics in NH4MnCl3 studied by QnS

J. Rubín, J. Bartolomé, A. Magerl, D. Visser, G.J. Kearley, L.A. de Graaf

Journal:

Physica B: Condensed Matter

Year:

1989

Language:

english

File:

PDF, 263 KB

english, 1989

64

Temperature dependent magnetic exchange interactions in a mixed-valence complex: A neutron scattering study

R.P. White, J.O. Al-Basseet, R.D. Cannon, G.J. Kearley, U.A. Jayasooriya

Journal:

Physica B: Condensed Matter

Year:

1989

Language:

english

File:

PDF, 229 KB

english, 1989

65

The vibrational spectroscopy of hydrogen bonds

J. Tomkinson, G.J. Kearley, F. Fillaux

Journal:

Physica B: Condensed Matter

Year:

1991

Language:

english

File:

PDF, 244 KB

english, 1991

66

Coupling of NH3 quantum rotors

H. Blank, G.J. Kearley

Journal:

Physica B: Condensed Matter

Year:

1991

Language:

english

File:

PDF, 223 KB

english, 1991

67

Inelastic neutron scattering study at low temperature of the quantum sine-Gordon breather in 4-methyl-pyridine with partially deuterated methyl groups

F. Fillaux, C.J. Carlile, G.J. Kearley

Journal:

Physica B: Condensed Matter

Year:

1992

Language:

english

File:

PDF, 274 KB

english, 1992

68

The effect of recoil of chemically distinct molecular ions on inelastic neutron scattering spectra of molecular vibrations

J. Tomkinson, G.J. Kearley

Journal:

Physica B: Condensed Matter

Year:

1992

Language:

english

File:

PDF, 226 KB

english, 1992

69

Inelastic neutron scattering intensities and force-field calculation of partially deuterated N-methylacetamide (CD3CONHCD3): normal mode versus local mode picture

F. Fillaux, J.P. Fontaine, M.H. Baron, J. Tomkinson, G.J. Kearley

Journal:

Physica B: Condensed Matter

Year:

1992

Language:

english

File:

PDF, 271 KB

english, 1992

70

The inelastic neutron scattering spectrum of Sn(CH3)4

G.J. Kearley, J. Tomkinson

Journal:

Physica B: Condensed Matter

Year:

1992

Language:

english

File:

PDF, 186 KB

english, 1992

71

Time focussing with multi-slit disk choppers: a future spectrometer?

Journal:

Physica B: Condensed Matter

Year:

1992

Language:

english

File:

PDF, 219 KB

english, 1992

72

Coupling between phonons and quantum rotors

G.J. Kearley, H. Büttner, F. Fillaux, S. Ikeda, A. Inaba

Journal:

Physica B: Condensed Matter

Year:

1995

Language:

english

File:

PDF, 157 KB

english, 1995

73

Relaxation kinetics of the sine-Gordon breather mode in 4-methyl-pyridine crystal at low temperature

F. Fillaux, C.J. Carlile, J.C. Cook, A. Heidemann, G.J. Kearley, S. Ikeda, A. Inaba

Journal:

Physica B: Condensed Matter

Year:

1995

Language:

english

File:

PDF, 192 KB

english, 1995

74

Proton transfer dynamics in polyglycine

F. Fillaux, M.H. Baron, N. Leygue, J. Tomkinson, G.J. Kearley

Journal:

Physica B: Condensed Matter

Year:

1995

Language:

english

File:

PDF, 185 KB

english, 1995

75

Inelastic neutron scattering study of isotopic mixtures of lithium acetate with partially deuterated CH2D groups and sine-Gordon dynamics

F Fillaux, G.J Kearley, C.J Carlile

Journal:

Physica B: Condensed Matter

Year:

1996

Language:

english

File:

PDF, 165 KB

english, 1996

76

Proton transfer: Recent results from neutron vibrational spectroscopy

J. Tomkinson, F. Fillaux, G.J. Kearley

Journal:

Physica B: Condensed Matter

Year:

1996

Language:

english

File:

PDF, 353 KB

english, 1996

77

NH3 free rotors in Hofmann clathrates

G.J Kearley, H.G Büttner, F Fillaux, M.F Lautié

Journal:

Physica B: Condensed Matter

Year:

1996

Language:

english

File:

PDF, 137 KB

english, 1996

78

Real-time observation of grain nucleation and growth during solidification of aluminium alloys

N. Iqbal, N.H. van Dijk, S.E. Offerman, M.P. Moret, L. Katgerman, G.J. Kearley

Journal:

Acta Materialia

Year:

2005

Language:

english

File:

PDF, 220 KB

english, 2005

79

Dynamical transition in a large globular protein: Macroscopic properties and glass transition

C.S. Kealley, A.V. Sokolova, G.J. Kearley, E. Kemner, M. Russina, A. Faraone, W.A. Hamilton, E.P. Gilbert

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2010

Language:

english

File:

PDF, 651 KB

english, 2010

80

Thermodynamics of spinel LixTiO2 from first principles

M. Wagemaker, A. Van Der Ven, D. Morgan, G. Ceder, F.M. Mulder, G.J. Kearley

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 190 KB

english, 2005

81

Hydrogen bonds in 1-indanone: Charge density analysis and simulation of the inelastic neutron scattering spectrum in solid phase

T. Peña Ruiz, A. Navarro, G.J. Kearley, M. Fernández Gómez

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 624 KB

english, 2005

82

Coupling between local vibrations and charge transport in discotic materials

Olga Kruglova, Fokko M. Mulder, Laurens D.A. Siebbeles, Gordon J. Kearley

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 629 KB

english, 2006

83

High-pressure in situ Mössbauer emission spectroscopy study of the sulfidation of calcined Co–Mo/Al2O3 hydrodesulfurization catalysts

A.I. Dugulan, M.W.J. Crajé, G.J. Kearley

Journal:

Journal of Catalysis

Year:

2004

Language:

english

File:

PDF, 165 KB

english, 2004

84

Anomalous lattice parameter increase in alkali earth aluminium substituted tungsten defect pyrochlores

Gordon J. Thorogood, Brendan J. Kennedy, Vanessa K. Peterson, Margaret M. Elcombe, Gordon J. Kearley, John V. Hanna, Vittorio Luca

Journal:

Journal of Solid State Chemistry

Year:

2009

Language:

english

File:

PDF, 712 KB

english, 2009

85

Coupled Li1+/Nb5+ and O2−/F− ordering on the Na and Cl sites of the average NaCl structure of Li4NbO4F

Lasse Norén, Ray L. Withers, Darren J. Goossens, Margaret Elcombe, Gordon J. Kearley

Journal:

Journal of Solid State Chemistry

Year:

2009

Language:

english

File:

PDF, 1.14 MB

english, 2009

86

Hydrogen adsorption in carbon nanostructures compared

H.G Schimmel, G Nijkamp, G.J Kearley, A Rivera, K.P de Jong, F.M Mulder

Journal:

Materials Science and Engineering: B

Year:

2004

Language:

english

File:

PDF, 125 KB

english, 2004

87

Analysis of quasielastic neutron scattering (QENS) data of discotic systems using different molecular dynamics (MD) models

O Kruglova, F.M Mulder, S.J Picken, J Stride, G.J Kearley

Journal:

Physica B: Condensed Matter

Year:

2004

Language:

english

File:

PDF, 213 KB

english, 2004

88

A quantative study of the charge-transfer between conjugated thiophene rings in vibrationally excited states

van Eijck, L, Senthilkumar, K, Siebbeles, L.D.A, Kearley, G.J

Journal:

Physica B: Condensed Matter

Year:

2004

Language:

english

File:

PDF, 181 KB

english, 2004

89

The life and times of lithium in anatase TiO2

M. Wagemaker, A.A. van Well, G.J. Kearley, F.M. Mulder

Journal:

Solid State Ionics

Year:

2004

Language:

english

File:

PDF, 186 KB

english, 2004

90

Vibrational spectroscopy with neutrons—Where are we now?

G.J. Kearley, M.R. Johnson

Journal:

Vibrational Spectroscopy

Year:

2010

Language:

english

File:

PDF, 531 KB

english, 2010

91

A reinvestigation of the ν7 and ν10 modes of pyridazine on the basis of the inelastic neutron scattering spectrum analysis

Amparo Navarro, J. Vázquez, M. Montejo, J.J. López González, G.J. Kearley

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 250 KB

english, 2002

92

Vibrational analysis of the inelastic neutron scattering spectrum of pyridine

Francisco Partal, Manuel Fernández-Gómez, Juan J López-González, Amparo Navarro, Gordon J Kearley

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 129 KB

english, 2000

93

The structure and dynamics of crystalline durene by neutron scattering and numerical modelling using density functional methods

M Plazanet, M.R Johnson, J.D Gale, T Yildirim, G.J Kearley, M.T Fernández-Dı́az, D Sánchez-Portal, E Artacho, J.M Soler, P Ordejón, A Garcia, H.P Trommsdorff

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 186 KB

english, 2000

94

Influence of the guest molecule on the rotational potential for NH3 groups in Hofmann clathrates

P Vorderwisch, S Hautecler, G.J Kearley, F Kubanek

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 148 KB

english, 2000

95

Preface

M.R. Johnson, G.J. Kearley, J. Eckert

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 46 KB

english, 2000

96

Measurement and ab initio modeling of the inelastic neutron scattering of solid melamine: Evidence of the anisotropy in the external modes spectrum

M.Paz Fernández-Liencres, Amparo Navarro, Juan J. López-González, Manuel Fernández-Gómez, John Tomkinson, Gordon J. Kearley

Journal:

Chemical Physics

Year:

2001

Language:

english

File:

PDF, 315 KB

english, 2001

97

Small rotational barriers for H2O flips in phase III of [Me(H2O)6](ClO4)2 with Me=Mg, Ni, and Zn

C. Nöldeke, B. Asmussen, W. Press, H. Büttner, G. Kearley

Journal:

Chemical Physics

Year:

2003

Language:

english

File:

PDF, 173 KB

english, 2003

98

Rotation/precession of NH3 groups in Hofmann clathrates

Marcus Neumann, Gordon J. Kearley

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 506 KB

english, 1997

99

Symmetrised quantum-mechanical force-fields and INS spectra: s-triazine, trichloro-s-triazine and pyrazine

G.J. Kearley, J. Tomkinson, A. Navarro, J.J. López González, M. Fernández Gómez

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 759 KB

english, 1997

100

Inelastic neutron scattering study of methyl tunnelling in an oriented single-crystal of 2,6-dimethylpyrazine at low temperature and rotational–potential calculations

B Nicolaı̈, E Kaiser, F Fillaux, G.J Kearley, A Cousson, W Paulus

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 472 KB

english, 1998