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- Currently displaying 16081 - 16100 of 30244 publications
An ab initio study of anharmonicity and matrix effects on the hydrogen-bonded BrH:NH complex 3
Molecular Physics
(2010)
92
429
(doi: 10.1080/00268979709482113)
A density functional water dimer potential surface
Molecular Physics
(2010)
92
667
(doi: 10.1080/002689797169943)
Efficient schemes to compute diffusive barrier crossing rates
Molecular Physics
(2010)
90
925
(doi: 10.1080/002689797171922)
The derivation of vibration-rotation kinetic energy operators in internal coordinates. II
Molecular Physics
(2010)
92
317
(doi: 10.1080/002689797170527)
Screened electrostatic interactions between clay platelets
Molecular Physics
(2010)
98
1369
(doi: 10.1080/002689700417493)
A study of sulphur-containing molecules using Hartree-Fock, MP2 and DFT (hybrid) methodologies
Molecular Physics
(2010)
92
339
(doi: 10.1080/002689797170077)
Nuclear magnetic shielding surfaces for CH3 F, CH3 Cl, and CH3 Br
Molecular Physics
(2010)
92
773
(doi: 10.1080/002689797170040)
Self-assembly of lamellar microphases in linear gradient copolymer melts
Macromolecules
(2010)
43
10612
(doi: 10.1021/ma102296r)
Phase Behavior of Heptanamide Adsorbed on a Graphite Substrate
Langmuir
(2010)
27
15
(doi: 10.1021/la1041053)
Solar hydrogen evolution with hydrogenases: From natural to hybrid systems
European Journal of Inorganic Chemistry
(2010)
2011
1005
(doi: 10.1002/ejic.201000986)
Symmetry pathways in solid-state NMR.
Progress in nuclear magnetic resonance spectroscopy
(2010)
59
121
(doi: 10.1016/j.pnmrs.2010.11.003)
Phase diagrams and surface properties of modified water models
Molecular Physics
(2010)
105
3029
(doi: 10.1080/00268970701733405)
Unveiling the neuromorphological space.
Front Comput Neurosci
(2010)
4
150
(doi: 10.3389/fncom.2010.00150)
Detecting the "afterglow" of 13C NMR in proteins using multiple receivers.
J Am Chem Soc
(2010)
132
18008
(doi: 10.1021/ja1080025)
Silaindacenodithiophene Semiconducting Polymers for Efficient Solar Cells and High-Mobility Ambipolar Transistors
Chemistry of Materials
(2010)
23
768
(doi: 10.1021/cm1029744)
Site-selective chemoenzymatic construction of synthetic glycoproteins using endoglycosidases
Chemical Science
(2010)
1
709
(doi: 10.1039/c0sc00265h)
New solid forms of artemisinin obtained through cocrystallisation
CrystEngComm
(2010)
12
4038
(doi: 10.1039/c0ce00428f)
Anion-switchable supramolecular gels for controlling pharmaceutical crystal growth.
Nature Chemistry
(2010)
2
1037
(doi: 10.1038/NCHEM.859)
Role Of Annealing Atmosphere On The Dielectric Properties Of La[sub 2]NiMnO[sub 6]
Aip Conference Proceedings
(2010)
1313
103
(doi: 10.1063/1.3530457)
Combining aggregation with Pareto optimization: A case study in evolutionary molecular design
Lecture Notes in Computer Science Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics
(2010)
5467
453
(doi: 10.1007/978-3-642-01020-0_36)
