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- Currently displaying 20381 - 20400 of 29940 publications
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)
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
Journal of Molecular Biology
(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
The journal of physical chemistry. B
(2005)
109
6159
(doi: 10.1021/jp0450484)
Solid-phase methods for the synthesis of cyanine dyes
Journal of Organic Chemistry
(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)
Studies towards the total synthesis of peloruside A
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U521
(doi: 10.17863/CAM.39381)
Studies towards the total synthesis of neolaulimalide, laulimalide and biologically active analogues
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U519
Studies towards a total synthesis of spirastrellolide A.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U378
New architectures arising from complementary quadruple hydrogen bonding motifs.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U568
John Pople - The early years.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U756
Development of an enantioselective organocatalytic intramolecular cyclopropanation reaction.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U366
Towards the total synthesis of bengazole A
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U515
Applying NMR methodology to the study of paramagnetic soil minerals.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U737
Electrochemistry in a very small cell: A computational approach.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U766
Novel coordination networks of 3D-metals with organothiolate ligands.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U1107
