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- Currently displaying 12801 - 12820 of 29542 publications
Efficient softest mode finding in transition states calculations
– Journal of Chemical Physics
(2013)
138,
094110
(doi: 10.1063/1.4792644)
Organocatalytic domino reaction of cyanosulfones: Access to complex cyclohexane systems with quaternary carbon centers
– Org Lett
(2013)
15,
1386
(doi: 10.1021/ol400356k)
Electrostatic effects in filamentous protein aggregation
– Biophysical journal
(2013)
104,
1116
(doi: 10.1016/j.bpj.2013.01.031)
Disagreement between theory and experiment grows with increasing rotational excitation of HD(v′, j′) product for the H + D2 reaction
– The Journal of chemical physics
(2013)
138,
094310
(doi: 10.1063/1.4793557)
Atomistic and Coarse‐Grained Molecular Dynamics Simulations of Membrane Proteins
(2013)
193
(doi: 10.1002/9781118523063.ch9)
Controlling crystal self-assembly using a real-time feedback scheme
– J Chem Phys
(2013)
138,
094502
(doi: 10.1063/1.4793527)
pH-controlled coordination mode rearrangements of "clickable" Huisgen-based multidentate ligands with [M(I)(CO)3]+ (M = Re, (99m)Tc).
– Inorg Chem
(2013)
52,
2939
(doi: 10.1021/ic302330u)
A surface site interaction model for the properties of liquids at equilibrium
– Chemical Science
(2013)
4,
1687
(doi: 10.1039/c3sc22124e)
Comprehensive insights into the structural and chemical changes in mixed-anion FeOF electrodes by using operando pdf and NMR spectroscopy
– J Am Chem Soc
(2013)
135,
4070
(doi: 10.1021/ja400229v)
In vitro and computational studies of transdermal perfusion of nanoformulations containing a large molecular weight protein.
– Colloids and Surfaces B Biointerfaces
(2013)
108,
271
Dynamic Combinatorial Chemistry with Novel Dithiol Building Blocks: Towards New Structurally Diverse and Adaptive Screening Collections
– Synlett
(2013)
24,
765
(doi: 10.1055/s-0032-1318407)
Through-thickness velocity profile measurements in an elastohydrodynamic contact
– Tribology Letters
(2013)
50,
261
(doi: 10.1007/s11249-013-0118-x)
Synthesis of the C1-C11 western fragment of madeirolide A.
– Organic letters
(2013)
15,
1338
(doi: 10.1021/ol400280b)
Benzylammonium heptanoate-heptanoic acid (1/1)
– Acta Crystallographica Section E Structure Reports Online
(2013)
69,
o346
(doi: 10.1107/S1600536813003012)
HIV Gag polyprotein: Processing and early viral particle assembly
– Trends in microbiology
(2013)
21,
136
(doi: 10.1016/j.tim.2012.11.006)
AC Magnetic Heating of Superparamagnetic Fe and Co Nanoparticles
– Defect and Diffusion Forum
(2013)
336,
159
Phase behavior and mixed ionic-electronic conductivity of Ba4Sb2O9
– Solid State Ionics
(2013)
235,
1
(doi: 10.1016/j.ssi.2013.01.008)
Hydration, acidity and metal complexing of polysulfide species: A first principles molecular dynamics study
– Chemical Physics Letters
(2013)
563,
9
(doi: 10.1016/j.cplett.2013.01.046)
Protease-activated alpha-2-macroglobulin can inhibit amyloid formation via two distinct mechanisms
– FEBS Letters
(2013)
587,
398
Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory.
– The Journal of Chemical Physics
(2013)
138,
084108
(doi: 10.1063/1.4792697)