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- Currently displaying 15721 - 15740 of 29877 publications
A density functional water dimer potential surface
Molecular Physics
(2010)
92
667
(doi: 10.1080/002689797169943)
Structure and properties of Ne n +; clusters from a diatomics-in-molecules approach
Molecular Physics
(2010)
93
633
(doi: 10.1080/002689798168970)
Efficient schemes to compute diffusive barrier crossing rates
Molecular Physics
(2010)
90
925
(doi: 10.1080/002689797171922)
Atomistic simulation of the stretching of nanoscale metal wires
Molecular Physics
(2010)
92
705
(doi: 10.1080/002689797169989)
The derivation of vibration-rotation kinetic energy operators in internal coordinates .2.
Molecular Physics
(2010)
92
317
(doi: 10.1080/002689797170527)
A study of sulphur-containing molecules using Hartree-Fock, MP2 and DFT (hybrid) methodologies
Molecular Physics
(2010)
92
339
(doi: 10.1080/002689797170077)
Transferability of topologically partitioned polarizabilities: The case of n-alkanes
Molecular Physics
(2010)
89
595
(doi: 10.1080/002689796173930)
Solar hydrogen evolution with hydrogenases: From natural to hybrid systems
European Journal of Inorganic Chemistry
(2010)
2011
1005
(doi: 10.1002/ejic.201000986)
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 : the ACS journal of surfaces and colloids
(2010)
27
15
(doi: 10.1021/la1041053)
Silaindacenodithiophene Semiconducting Polymers for Efficient Solar Cells and High-Mobility Ambipolar Transistors
Chemistry of Materials
(2010)
23
768
(doi: 10.1021/cm1029744)
Detecting the "afterglow" of 13C NMR in proteins using multiple receivers.
Journal of the American Chemical Society
(2010)
132
18008
(doi: 10.1021/ja1080025)
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)
Symmetry pathways in solid-state NMR.
Prog Nucl Magn Reson Spectrosc
(2010)
59
121
(doi: 10.1016/j.pnmrs.2010.11.003)
Successful extrapolation of an f-element synthetic method to the pseudo light lanthanoid, aluminium
Journal of Organometallic Chemistry
(2010)
695
2720
Host-Guest-Driven Copolymerization of Tetraphosphonate Cavitands
Chemistry – A European Journal
(2010)
16
14313
(doi: 10.1002/chem.201002237)
Integrated modelling of climate control and air pollution: Methodology and results from one-way coupling of an energy-environment-economy (E3MG) and atmospheric chemistry model (p-TOMCAT) in decarbonising scenarios for Mexico to 2050
Environmental Science & Policy
(2010)
13
661
(doi: 10.1016/j.envsci.2010.09.008)
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)
The electrochemistry of lithium in ionic liquid/organic diluent mixtures
Electrochimica Acta
(2010)
55
8947
