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- Currently displaying 20341 - 20360 of 29898 publications
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)
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
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.
J Phys Chem B
(2005)
109
6159
(doi: 10.1021/jp0450484)
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)
Studies towards the total synthesis of peloruside A
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U521
(doi: 10.17863/CAM.39381)
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
Studies towards the total synthesis of neolaulimalide, laulimalide and biologically active analogues
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U519
New architectures arising from complementary quadruple hydrogen bonding motifs.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U568
Electrochemistry in a very small cell: A computational approach.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U766
Polymer brushes: From synthesis to 'smart surfaces'.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U981
New generation synthesis of the ef fragment of the spongistatins.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U520
Towards the total synthesis of bengazole A
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U515
Protein misfolding and its links with human disease.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U719
