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  • Currently displaying 24681 - 24700 of 30668 publications
Author(s)
Publication title
Journal Name
Publication year
Universal models of hydrogen bonding
AJ Stone
RECENT THEORETICAL AND EXPERIMENTAL ADVANCES IN HYDROGEN BONDED CLUSTERS
(2000)
561
Non-ideal DPD fluids
I Pagonabarraga, D Frenkel
Molecular Simulation
(2000)
25
Model proteins to understand amyloid fibril formation
J Zurdo, V Villegas, FX Avilés, L Serrano, CM Dobson
BIOPHYSICAL JOURNAL
(2000)
78
Nonspecific Catalysis By Protein Surfaces
AJ Kirby, F Hollfelder, DS Tawfik
Applied biochemistry and biotechnology
(2000)
83
Potential energy surfaces and coordinate dependence
DJ Wales
J. Chem. Phys.
(2000)
113
Deracemization of Baylis-Hillman adducts
SV Ley, F Rodriguez
Chemtracts
(2000)
13
Ab initio molecular dynamics simulation of liquids and solutions
M Sprik
Journal of Physics Condensed Matter
(2000)
12
A Novel Mechanism for the Enhancement of Activated Bimolecular Reactions by Rotational Excitation,
IWM Smith, A Miklavc, M Perdih
Journal of Chemical Physics
(2000)
112
1,2-Diacetals in synthesis: Total synthesis of a glycosylphosphatidylinositol anchor of Trypanosoma brucei
DK Baeschlin, AR Chaperon, LG Green, MG Hahn, SJ Ince, SV Ley
Chemistry - A European Journal
(1999)
6
The origin of electrochemical promotion in heterogeneous catalysis: Photoelectron spectroscopy of solid state electrochemical cells
FJ Williams, A Palermo, MS Tikhov, RM Lambert
Journal of Physical Chemistry B
(1999)
104
The photodissociation of physisorbed alkyl nitrites. Λ-doublet population and alignment of desorbed NO
PT Griffiths, CJSM Simpson, S Stolte, M Towrie
Chemical Physics Letters
(1999)
315
Vesicles accelerate proton transfer from carbon up to 850-fold
J Pérez-Juste, F Hollfelder, AJ Kirby, JB Engberts
Organic letters
(1999)
2
The dynamics of structural transitions in sodium chloride clusters
JPK Doye, DJ Wales
The Journal of Chemical Physics
(1999)
111
Recoil growth algorithm for chain molecules with continuous interactions
S CONSTA, TJH VLUGT, JW HOETH, B SMIT, D FRENKEL
Molecular Physics
(1999)
97
Model corrosion inhibitor for in situ spectroscopic studies
B Heeg, D Klenerman
Langmuir
(1999)
16
Evaluation of the performance of the HCTH exchange-correlation functional using a benchmark of sulfur compounds
JA Altmann, NC Handy
Physical Chemistry Chemical Physics
(1999)
1
Atomic and electronic structure and interatomic potentials at a polar ceramic/metal interface:{222}MgO/Cu
R Benedek, DN Seidman, M Minkoff, LH Yang, A Alavi
Physical Review B Condensed Matter and Materials Physics
(1999)
60
Effects of macromolecular crowding on protein folding and aggregation
B van den Berg, RJ Ellis, CM Dobson
The EMBO journal
(1999)
18
Still a puzzle: Why is haem covalently attached in c-type cytochromes?
PD Barker, SJ Ferguson
Structure
(1999)
7
Femtosecond near-infrared laser desorption of multilayer benzene on Pt{111}: Spatial origin of hyperthermal desorption
H Arnolds, CEM Rehbein, G Roberts, RJ Levis, DA King
Chemical Physics Letters
(1999)
314