Yusuf Hamied Department of Chemistry

Publications by Professor Michiel Sprik

Pressure effects on hydrogen bonding in the disordered phase of solid HBr
T Ikeda, M Sprik, K Terakura, M Parrinello
Physical Review Letters
(1998)
81
(doi: 10.1103/physrevlett.81.4416)
Free energy from constrained molecular dynamics
M Sprik, G Ciccotti
The Journal of Chemical Physics
(1998)
109
(doi: 10.1063/1.477419)
Ab Initio Molecular Dynamics Study of the Reaction of Water with Formaldehyde in Sulfuric Acid Solution
EJ Meijer, M Sprik
Journal of the American Chemical Society
(1998)
120
(doi: 10.1021/ja972935u)
A density functional study of the addition of water to SO3 in the gas phase and in aqueous solution
EJ Meijer, M Sprik
Journal of Physical Chemistry A
(1998)
102
(doi: 10.1021/jp972146z)
Living polymers - Ab initio molecular dynamics study of the initiation step in the polymerization of isoprene induced by ethyl lithium
U Röthlisberger, M Sprik, ML Klein
Journal of the Chemical Society, Faraday Transactions
(1998)
94
(doi: 10.1039/a707860i)
General discussion
MS Child, GR Darling, GJ Kroes, DG Truhlar, JC Light, DA McCormack, DJ Tozer, DC Clary, DM Bird, JZH Zhang, S Holloway, PR Taylor, M Persson, BE Jackson, JB Anderson, JM Bowman, DL Thompson, JT Hynes, MV Basilevsky, D Chandler, M Sprik, K Morokuma, PG Bolhuis, AS Al-Halabi, B Hammer, ER Davidson, JC Tully, TJ Martinez, IH Hillier, RJ Meier, KJ Schulten, A Kuppermann
FARADAY DISCUSSIONS
(1998)
110
Coordination numbers as reaction coordinates in constrained molecular dynamics
M Sprik
Faraday Discussions
(1998)
110
(doi: 10.1039/a801517a)
General discussion
DG Truhlar, WL Jorgensen, MT Nguyen, JB Anderson, D Chandler, S Hammes-Schiffer, PG Bolhuis, IH Hillier, C Dellago, JNL Connor, MV Basilevsky, JC Tully, JM Bowman, EM Goldfield, G Katz, TJ Martinez, W Jakubetz, HW Schranz, KJ Schulten, M Sprik, GC Schatz, JT Hynes, IH Williams, PR Taylor, CS Verma, A Laganà, K Morokuma, C Trindle, HF Schaefer, NA Burton, L Blancafort
FARADAY DISCUSSIONS
(1998)
110
The structure of the surfactant-water interface for sodium octanoate micelles: A molecular dynamics study using polarizable models.
JC Shelley, M Sprik, ML Klein
ABSTR PAP AM CHEM S
(1997)
214
Molecular dynamics studies of the electrostatics of micellar interfaces using a polarizable model.
JC Shelley, M Sprik, ML Klein
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(1997)
214
Density functional theory-based molecular dynamics simulation of acid-catalyzed chemical reactions in liquid trioxane
A Curioni, M Sprik, W Andreoni, H Schiffer, J Hutter, M Parrinello
Journal of the American Chemical Society
(1997)
119
(doi: 10.1021/ja970935o)
Ab initio molecular dynamics of ion solvation. The case of Be2+ in water
D Marx, M Sprik, M Parrinello
Chemical Physics Letters
(1997)
273
(doi: 10.1016/S0009-2614(97)00618-0)
Structure of Solid Poly(tetrafluoroethylene):  A Computer Simulation Study of Chain Orientational, Translational, and Conformational Disorder
M Sprik, U Röthlisberger, ML Klein
Journal of Physical Chemistry B
(1997)
101
(doi: 10.1021/jp963333k)
Ab initio molecular dynamics simulation of condensed molecular systems
M Sprik
ELECTRICAL AND RELATED PROPERTIES OF ORGANIC SOLIDS
(1997)
24
A density-functional study of the intermolecular interactions of benzene
EJ Meijer, M Sprik
The Journal of Chemical Physics
(1996)
105
(doi: 10.1063/1.472649)
Ab initio molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals
M Sprik, J Hutter, M Parrinello
Journal of Chemical Physics
(1996)
105
(doi: 10.1063/1.471957)
The torsional potential of perfluoro n-alkanes: A density functional study
U Röthlisberger, K Laasonen, ML Klein, M Sprik
Journal of Chemical Physics
(1996)
104
(doi: 10.1063/1.471023)
Introduction to molecular dynamics methods
M Sprik
MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS
(1996)
49
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
M Tuckerman, M Sprik, M Parrinello
FEMTOCHEMISTRY
(1996)
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
M Tuckerman, K Laasonen, M Sprik, M Parrinello
The Journal of Chemical Physics
(1995)
103
(doi: 10.1063/1.469654)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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