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- Currently displaying 20921 - 20940 of 30393 publications
Aziridinium ring opening: a simple ionic reaction pathway with sequential transition states
Tetrahedron Letters
(2005)
46
2067
(doi: 10.1016/j.tetlet.2005.01.142)
Proteins of the S100 family regulate the oligomerization of p53 tumor suppressor
Proc Natl Acad Sci U S A
(2005)
102
4735
(doi: 10.1073/pnas.0501459102)
Molecule impossible
Chemistry and Industry London
(2005)
18
A variational method for the calculation of spin-rovibronic energy levels of any triatomic molecule in an electronic triplet state
Molecular Physics
(2005)
103
1131
(doi: 10.1080/00268970412331332961)
Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials
Molecular Physics
(2005)
103
711
(doi: 10.1080/0026897051234267)
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?
J Phys Chem B
(2005)
109
6902
(doi: 10.1021/jp044556a)
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)
Heterogeneous alkene epoxidation: Past, present and future
Molecular Catalysis
(2005)
228
27
What Is the Smallest Saturated Acyclic Alkane that Cannot Be Made?
ChemInform
(2005)
36
no
(doi: 10.1002/chin.200515228)
Solid-phase methods for the synthesis of cyanine dyes
J Org Chem
(2005)
70
2939
(doi: 10.1021/jo0479415)
Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions
Organic & biomolecular chemistry
(2005)
3
1369
(doi: 10.1039/b503068b)
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)
Protein misfolding and its links with human disease.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U719
Open access and the Chemical Semantic Web.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U601
Electrochemistry in a very small cell: A computational approach.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U766
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
Novel coordination networks of 3D-metals with organothiolate ligands.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U1107
John Pople - The early years.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U756
Studies towards a total synthesis of spirastrellolide A.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U378
