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  • Currently displaying 19661 - 19680 of 30614 publications
Author(s)
Publication title
Journal Name
Publication year
Ab initio molecular dynamics study of ascorbic acid in aqueous solution
F Costanzo, M Sulpizi, J Vandevondele, RGD Valle, M Sprik
Molecular Physics
(2007)
105
Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations
PJ Bond, MSP Sansom
Proceedings of the National Academy of Sciences
(2007)
104
Simple off-lattice model to study the folding and aggregation of peptides
N Combe, D Frenkel
Molecular Physics
(2007)
105
Conformational entropy of alanine versus glycine in protein denatured states
KA Scott, DOV Alonso, S Sato, AR Fersht, V Daggett
Proceedings of the National Academy of Sciences
(2007)
104
Reaction site mapping of xenobiotic biotransformations.
S Boyer, CH Arnby, L Carlsson, J Smith, V Stein, RC Glen
Journal of chemical information and modeling
(2007)
47
Energy landscape view of nonideality in binary mixtures.
SE Abraham, D Chakrabarti, B Bagchi
J Chem Phys
(2007)
126
Transition metal NMR chemical shifts from optimized effective potentials
AM Teale, AJ Cohen, DJ Tozer
J Chem Phys
(2007)
126
Synthesis of CaO-P2O5-SiO2 monolithic with double pore structure by peg/starch
HB Yang, Q Chen, L Song, HP Li, JY Lu, WZ Zhang
Key Engineering Materials
(2007)
330-332 II
Atom-atom potentials from ab initio calculations
AJ Stone, AJ Misquitta
International Reviews in Physical Chemistry
(2007)
26
Diclofenac Solubility:  Independent Determination of the Intrinsic Solubility of Three Crystal Forms
A Llinàs, JC Burley, KJ Box, RC Glen, JM Goodman
J Med Chem
(2007)
50
Structural biology - Analysis of 'downhill' protein folding
N Ferguson, TD Sharpe, CM Johnson, PJ Schartau, AR Fersht
Nature
(2007)
445
The asymmetric synthesis of β-lactams:: HETPHOX/Cu(I) mediated synthesis via the Kinugasa reaction
AG Coyne, H Müller-Bunz, PJ Guiry
Tetrahedron: Asymmetry
(2007)
18
Structure, mechanism and catalytic duality of thiamine-dependent enzymes.
RAW Frank, FJ Leeper, BF Luisi
Cellular and Molecular Life Sciences
(2007)
64
Polarization relaxation in an ionic liquid confined between electrified walls.
C Pinilla, MG Del Pópolo, J Kohanoff, RM Lynden-Bell
Journal of Physical Chemistry B
(2007)
111
Synthesis and Characterization of Poly(3-Sulfopropylmethacrylate) Brushes for Potential Antibacterial Applications
M Ramstedt, N Cheng, O Azzaroni, D Mossialos, HJ Mathieu, WTS Huck
Langmuir
(2007)
23
Proton and anion control of framework complexity in copper(II) complex structures derived from 2-(hydroxymethyl)pyridine
B Antonioli, DJ Bray, JK Clegg, KA Jolliffe, K Gloe, K Gloe, LF Lindoy
Polyhedron
(2007)
26
Night-time radical chemistry during the NAMBLEX campaign
R Sommariva, MJ Pilling, WJ Bloss, DE Heard, JD Lee, ZL Fleming, PS Monks, JMC Plane, A Saiz-Lopez, SM Ball, M Bitter, RL Jones, N Brough, SA Penkett, JR Hopkins, AC Lewis, KA Read
Atmospheric Chemistry and Physics
(2007)
7
Observations of the plume generated by the December 2005 oil depot explosions and prolonged fire at Buncefield (Hertfordshire, UK) and associated atmospheric changes
TA Mather, RG Harrison, VI Tsanev, DM Pyle, ML Karumudi, AJ Bennett, GM Sawyer, EJ Highwood
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2007)
463
Introduction: energy for a sustainable future.
DA King
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(2007)
365
Energy landscapes for water clusters in a uniform electric field (13 pages).
T James, DJ Wales, J Hernández Rojas
J Chem Phys
(2007)
126