Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 22081 - 22100 of 31597 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)
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)
Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials
Molecular Physics
(2005)
103
711
(doi: 10.1080/0026897051234267)
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
Molecular Catalysis
(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)
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)
Open access and the Chemical Semantic Web.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U601
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 applications of surface science towards environmental research: Model systems for studying heterogeneous photocatalysis.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U715
Novel coordination networks of 3D-metals with organothiolate ligands.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U1107
Studies towards a total synthesis of spirastrellolide A.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U378
Electrochemistry in a very small cell: A computational approach.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2005)
229
U766
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
