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- Currently displaying 19821 - 19840 of 29356 publications
A molecular T-matrix approach to calculating Low-Energy Electron Diffraction intensities for ordered molecular adsorbates
– Surface Science
(2005)
579,
89
(doi: 10.1016/j.susc.2005.01.050)
Biased sampling of nonequilibrium trajectories: can fast switching simulations outperform conventional free energy calculation methods?
– The journal of physical chemistry. B
(2005)
109,
6902
(doi: 10.1021/jp044556a)
Heterogeneous alkene epoxidation: Past, present and future
– Journal of Molecular Catalysis A: Chemical
(2005)
228,
27
What contributions to protein side-chain dynamics are probed by NMR experiments? A molecular dynamics simulation analysis.
– J Mol Biol
(2005)
349,
185
(doi: 10.1016/j.jmb.2005.03.001)
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
– ChemInform
(2005)
36,
no
(doi: 10.1002/chin.200515228)
Effect of oxygen adsorption on the chiral Pt{531} surface
– J Phys Chem B
(2005)
109,
6159
(doi: 10.1021/jp0450484)
Solid-phase methods for the synthesis of cyanine dyes.
– The Journal of Organic Chemistry
(2005)
70,
2939
(doi: 10.1021/jo0479415)
Looking at structure, stability, and evolution of proteins through the principal eigenvector of contact matrices and hydrophobicity profiles.
– Gene
(2005)
347,
219
(doi: 10.1016/j.gene.2004.12.015)
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions
– Org Biomol Chem
(2005)
3,
1369
(doi: 10.1039/b503068b)
Nanostructured polymers in polymeric optoelectronic devices.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U1156
Novel applications of surface science towards environmental research: Model systems for studying heterogeneous photocatalysis.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U715
Applying NMR methodology to the study of paramagnetic soil minerals.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
{230-PHYS}
Towards the total synthesis of bengazole A
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U515
Novel coordination networks of 3D-metals with organothiolate ligands.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U1107
Electrochemistry in a very small cell: A computational approach.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U766
New generation synthesis of the ef fragment of the spongistatins.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U520
Polymer brushes: From synthesis to 'smart surfaces'.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U981
Influence of temperature and DFT models in ab initio MD simulation of liquid water
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U802
RDF-based molecular relationships, the Semantic Web and the future of scientific publishing.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U601
Protein misfolding and its links with human disease.
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229,
U719