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- Currently displaying 19701 - 19720 of 29869 publications
Computational chemistry in XML
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Preparation of supermolecular polymers with complementary hydrogen bonding motifs
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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Comparative NAMFIS analysis of Geldanamycin and Radidicol
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Virtual screening: The king (quite often) has no clothes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Solvation structure and transport of acidic protons in ionic liquids: Insights from computer simulations
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Polyzwitterionic brushes: Switching based on self-association
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Adsorption of atmospherically relevant gases and PAHs at the air/water interface
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
Applications of a highly enantioselective sulfur-ylide in epoxidation reactions
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2006)
231
A flow process for the multi-step synthesis of the alkaloid natural product oxomaritidine: A new paradigm for molecular assembly
Chemical Communications
(2006)
2566
(doi: 10.1039/b600382f)
Lattice-Boltzmann simulation of the sedimentation of charged disks
The Journal of chemical physics
(2006)
124
124903
(doi: 10.1063/1.2178804)
Choices of Iron and Copper: Cooperative Selection during Self‐Assembly
Angewandte Chemie (International ed. in English)
(2006)
45
2453
(doi: 10.1002/anie.200504447)
Choices of Iron and Copper: Cooperative Selection during Self‐Assembly
Angewandte Chemie
(2006)
118
2513
(doi: 10.1002/ange.200504447)
A first-principles investigation of LiNH2 as a hydrogen-storage material: Effects of substitutions of K and Mg for Li
The Journal of Physical Chemistry B
(2006)
110
7139
(doi: 10.1021/jp0562072)
Lattice-Boltzmann Simulations of Ionic Current Modulation by DNA Translocation.
J Chem Theory Comput
(2006)
2
495
(doi: 10.1021/ct050340g)
The folding pathway of spectrin R17 from experiment and simulation: using experimentally validated MD simulations to characterize States hinted at by experiment.
Journal of Molecular Biology
(2006)
359
159
(doi: 10.1016/j.jmb.2006.03.011)
Rotational reorientation dynamics of ionic dye solutes in polar solvents with the application of a general model for the solvation shell
Chemical Physics
(2006)
322
247
Crystal gazing
Chemistry and Industry London
(2006)
21
Modelling molecular iodine emissions in a coastal marine environment: The link to new particle formation
Atmospheric Chemistry and Physics
(2006)
6
883
(doi: 10.5194/acp-6-883-2006)
Reconstitution of the transition from lamellipodium to filopodium in a membrane-free system
Proceedings of the National Academy of Sciences
(2006)
103
4906
(doi: 10.1073/pnas.0508269103)
