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  • Currently displaying 19381 - 19400 of 30945 publications
Author(s)
Publication title
Journal Name
Publication year
Optimum bias for fast-switching free energy calculations
H Oberhofer, C Dellago
Computer Physics Communications
(2008)
179
Modelling the effect of hydrogen positions on the lattice dynamics calculations of terahertz spectra of benzoic acid
R Li, GM Day, EPJ Parrott, JA Zeitler, LF Gladden
2008 33RD INTERNATIONAL CONFERENCE ON INFRARED, MILLIMETER AND TERAHERTZ WAVES, VOLS 1 AND 2
(2008)
442
Structure, microstructure and magnetic properties of Sr1−xCaxCrO3 (0⩽x⩽1)
E Castillo-Martínez, A Durán, MÁ Alario-Franco
Journal of Solid State Chemistry
(2008)
181
Super-microporous organosilicas synthesized from well-defined nanobuilding units
L Zhang, Q Yang, H Yang, J Liu, H Xin, B Mezari, PCMM Magusin, HCL Abbenhuis, RA van Santen, C Li
J. Mater. Chem.
(2008)
18
Manganese(II)-lithium and -sodium inverse crown ether (ICE) complexes.
AR Kennedy, J Klett, RE Mulvey, S Newton, DS Wright
Chem. Commun.
(2008)
Response to Comment on Autoionization at the surface of neat water: Is the top layer pH neutral, basic, or acidic? By J. K. Beattie, Phys. Chem. Chem. Phys., 2007, 9, DOI: 10.1039/b713702h
R Vácha, V Buch, A Milet, JP Devlin, P Jungwirth
Phys. Chem. Chem. Phys.
(2008)
10
Ordered chaos
D Frenkel
Nature Physics
(2008)
4
Coenzyme A biosynthesis: an antimicrobial drug target
C Spry, K Kirk, KJ Saliba
FEMS microbiology reviews
(2008)
32
Functionalised amyloid fibrils for roles in cell adhesion
SL Gras, AK Tickler, AM Squires, GL Devlin, MA Horton, CM Dobson, CE MacPhee
Biomaterials
(2007)
29
Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
M Frederickson, O Callaghan, G Chessari, M Congreve, SR Cowan, JE Matthews, R McMenamin, D-M Smith, M Vinković, NG Wallis
Journal of Medicinal Chemistry
(2007)
51
Fast multi-dimensional NMR by minimal sampling
E Kupce, R Freeman
J Magn Reson
(2007)
191
3‐methyl‐1,2,3‐butanetricarboxylic acid: An atmospheric tracer for terpene secondary organic aerosol
R Szmigielski, JD Surratt, Y Gómez‐González, P Van der Veken, I Kourtchev, R Vermeylen, F Blockhuys, M Jaoui, TE Kleindienst, M Lewandowski, JH Offenberg, EO Edney, JH Seinfeld, W Maenhaut, M Claeys
Geophysical Research Letters
(2007)
34
Cavity ring-down spectroscopy of jet-cooled silane isotopologues in the Si–H stretch overtone region
R Bisson, TT Dang, M Sacchi, RD Beck
The Journal of Chemical Physics
(2007)
127
Role of Intermolecular Forces in Defining Material Properties of Protein Nanofibrils
TP Knowles, AW Fitzpatrick, S Meehan, HR Mott, M Vendruscolo, CM Dobson, ME Welland
Science
(2007)
318
The Flavodoxin from Helicobacter pylori: Structural Determinants of Thermostability and FMN Cofactor Binding †
N Cremades, A Velazquez-Campoy, E Freire, J Sancho
Biochemistry
(2007)
47
A Sequence-Independent Study of the Influence of Short Loop Lengths on the Stability and Topology of Intramolecular DNA G-Quadruplexes †
A Bugaut, S Balasubramanian
Biochemistry
(2007)
47
Geometry optimization for peptides and proteins: Comparison of Cartesian and internal coordinates
EF Koslover, DJ Wales
The Journal of chemical physics
(2007)
127
Self‐Assembly in Systems of Subcomponents: Simple Rules, Subtle Consequences
RJ Sarma, JR Nitschke
Angewandte Chemie
(2007)
120
Patchy sticky hard spheres: Analytical study and Monte Carlo simulations
R Fantoni, D Gazzillo, A Giacometti, MA Miller, G Pastore
The Journal of chemical physics
(2007)
127
Self-assembly in systems of subcomponents: simple rules, subtle consequences.
RJ Sarma, JR Nitschke
Angewandte Chemie International Edition
(2007)
47