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  • Currently displaying 19581 - 19600 of 29657 publications
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Chemistry publications in CML
PT Corbett, P Murray-Rust, NE Day, JA Townsend, HS Rzepa
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Computational chemistry in XML
P Murray-Rust, HS Rzepa, JA Townsend, D Wilson
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Virtual screening: The king (quite often) has no clothes
RC Glen, A Bender
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Dinuclear Iron Centers for dioxygen activation and selective oxidation chemistry
SJ Lippard, JJ Kodanko, A Morys, M Zhao, E Reisner, S Friedle
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Solvation structure and transport of acidic protons in ionic liquids: Insights from computer simulations
MG Del Popolo, J Kohanoff, RM Lynden-Bell
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Total and state-to-state rate coefficients for inelastic and reactive collisions of CN(X-2 Sigma(+), v=2) in selected rotational levels in collisions with N-2 and C2H2
IWM Smith, RV Olkhov
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Applications of a highly enantioselective sulfur-ylide in epoxidation reactions
CP Tubb, JM Goodman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Comparative NAMFIS analysis of Geldanamycin and Radidicol
P Thepchatri, DO Cicero, T Eliseo, DC Myles, JP Snyder
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Lattice-Boltzmann simulation of the sedimentation of charged disks.
F Capuani, I Pagonabarraga, D Frenkel
J Chem Phys
(2006)
124
A flow process for the multi-step synthesis of the alkaloid natural product oxomaritidine: a new paradigm for molecular assembly.
IR Baxendale, J Deeley, CM Griffiths-Jones, SV Ley, S Saaby, GK Tranmer
Chem Commun (Camb)
(2006)
Choices of iron and copper: Cooperative selection during self-assembly
D Schultz, JR Nitschke
Angewandte Chemie International Edition
(2006)
45
Choices of Iron and Copper: Cooperative Selection during Self‐Assembly
D Schultz, JR Nitschke
Angewandte Chemie
(2006)
118
A first-principles investigation of LiNH2 as a hydrogen-storage material: Effects of substitutions of K and Mg for Li
C Zhang, A Alavi
Journal of Physical Chemistry B
(2006)
110
Lattice-Boltzmann Simulations of Ionic Current Modulation by DNA Translocation.
S Reboux, F Capuani, D Frenkel
Journal of Chemical Theory and Computation
(2006)
2
The Folding Pathway of Spectrin R17 from Experiment and Simulation: Using Experimentally Validated MD Simulations to Characterize States Hinted at by Experiment
KA Scott, LG Randles, SJ Moran, V Daggett, J Clarke
J Mol Biol
(2006)
359
Rotational reorientation dynamics of ionic dye solutes in polar solvents with the application of a general model for the solvation shell
M Kubinyi, A Grofcsik, T Kárpáti, WJ Jones
Chemical Physics
(2006)
322
Modelling molecular iodine emissions in a coastal marine environment: The link to new particle formation
A Saiz-Lopez, JMC Plane, G McFiggans, PI Williams, SM Ball, M Bitter, RL Jones, C Hongwei, T Hoffmann
Atmospheric Chemistry and Physics
(2006)
6
Crystal gazing
FA Paz, J Klinowski
Chemistry and Industry London
(2006)
Reconstitution of the transition from lamellipodium to filopodium in a membrane-free system.
L Haviv, Y Brill-Karniely, R Mahaffy, F Backouche, A Ben-Shaul, TD Pollard, A Bernheim-Groswasser
Proceedings of the National Academy of Sciences
(2006)
103
Imaging proteins in membranes of living cells by high-resolution scanning ion conductance microscopy
AI Shevchuk, GI Frolenkov, D Sánchez, PS James, N Freedman, MJ Lab, R Jones, D Klenerman, YE Korchev
Angewandte Chemie International Edition
(2006)
45