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- Currently displaying 20741 - 20760 of 30210 publications
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?
The journal of physical chemistry. 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.
Journal of molecular biology
(2005)
349
185
(doi: 10.1016/j.jmb.2005.03.001)
Heterogeneous alkene epoxidation: past, present and future
Journal of Molecular Catalysis A: Chemical
(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.
The 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)
Development of an enantioselective organocatalytic intramolecular cyclopropanation reaction.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U366
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
Studies towards the total synthesis of peloruside A
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U521
(doi: 10.17863/CAM.39381)
Protein misfolding and its links with human disease.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U719
Electrochemistry in a very small cell: A computational approach.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U766
New architectures arising from complementary quadruple hydrogen bonding motifs.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U568
Studies towards the total synthesis of neolaulimalide, laulimalide and biologically active analogues
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U519
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
