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- Currently displaying 16481 - 16500 of 30657 publications
A study of sulphur-containing molecules using Hartree-Fock, MP2 and DFT (hybrid) methodologies
Molecular Physics
(2010)
92
339
(doi: 10.1080/002689797170077)
Efficient schemes to compute diffusive barrier crossing rates
Molecular Physics
(2010)
90
925
(doi: 10.1080/002689797171922)
An ab initio study of anharmonicity and matrix effects on the hydrogen-bonded BrH:NH complex 3
Molecular Physics
(2010)
92
429
(doi: 10.1080/002689797170167)
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. II
Molecular Physics
(2010)
92
317
(doi: 10.1080/002689797170527)
Transferability of topologically partitioned polarizabilities: The case of n-alkanes
Molecular Physics
(2010)
89
595
(doi: 10.1080/002689796173930)
Nuclear magnetic shielding surfaces for CH3 F, CH3 Cl, and CH3 Br
Molecular Physics
(2010)
92
773
(doi: 10.1080/002689797170040)
Structure, rearrangements and evaporation of rotating atomic clusters
Molecular Physics
(2010)
89
533
(doi: 10.1080/002689796173895)
Structure and properties of Nen+; clusters from a diatomics-in-molecules approach
Molecular Physics
(2010)
93
633
(doi: 10.1080/002689798168970)
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)
Detecting the "Afterglow" of C-13 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)
Phase diagrams and surface properties of modified water models
Molecular Physics
(2010)
105
3029
(doi: 10.1080/00268970701733405)
Unveiling the neuromorphological space
Frontiers in computational neuroscience
(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)
Combining aggregation with Pareto optimization: A case study in evolutionary molecular design
Lecture Notes in Computer Science
(2010)
5467 LNCS
453
(doi: 10.1007/978-3-642-01020-0_36)
Host-Guest-Driven Copolymerization of Tetraphosphonate Cavitands
Chemistry
(2010)
16
14313
(doi: 10.1002/chem.201002237)
The electrochemistry of lithium in ionic liquid/organic diluent mixtures
Electrochimica Acta
(2010)
55
8947
