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- Currently displaying 9901 - 9920 of 29877 publications
Hofmeister Ion-Induced Changes in Water Structure Correlate with Changes in Solvation of an Aggregated Protein Complex.
Langmuir
(2016)
32
1360
(doi: 10.1021/acs.langmuir.5b04489)
Locating Instantons in Calculations of Tunneling Splittings: The Test Case of Malonaldehyde
J Chem Theory Comput
(2016)
12
787
(doi: 10.1021/acs.jctc.5b01073)
Turning intractable counting into sampling: Computing the configurational entropy of three-dimensional jammed packings.
Physical review. E
(2016)
93
012906
(doi: 10.1103/PhysRevE.93.012906)
A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters
Organic & Biomolecular Chemistry
(2016)
14
2318
(doi: 10.1039/c5ob02630j)
Crystal structures of a family of layered coordination polymers containing divalent metal ions (Mn2+, Co2+, Ni2+ and Zn2+) and the 3-amino 4-methyl benzoate ion
Journal of Structural Chemistry
(2016)
56
1130
(doi: 10.1134/s0022476615060165)
Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6 cages.
Chemical Science
(2016)
7
2614
(doi: 10.1039/c5sc04906g)
Hamiltonian Dynamics of Protein Filament Formation
Phys Rev Lett
(2016)
116
038101
The total synthesis of K-252c (staurosporinone) via a sequential C-H functionalisation strategy
Chemical science
(2016)
7
2706
(doi: 10.1039/c5sc04399a)
De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints.
Cell
(2016)
164
476
(doi: 10.1016/j.cell.2015.12.024)
ChemInform Abstract: Hypervalent Iodine(III) in Direct Oxidative Amination of Arenes with Heteroaromatic Amines.
ChemInform
(2016)
47
no
(doi: 10.1002/chin.201606105)
Seeding approach to crystal nucleation.
The Journal of Chemical Physics
(2016)
144
034501
(doi: 10.1063/1.4939641)
Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study.
Physical chemistry chemical physics : PCCP
(2016)
18
2192
(doi: 10.1039/c5cp06798g)
Beneficial effects of substituting trivalent ions in the B-site of La0.5Sr0.5Mn1−xAxO3 (A = Al, Ga, Sc) on the thermochemical generation of CO and H2 from CO2 and H2O
Dalton Trans
(2016)
45
2430
(doi: 10.1039/c5dt04822b)
A new Pseudomonas quinolone signal (PQS) binding partner: MexG
Chemical Science
(2016)
7
2553
(doi: 10.1039/c5sc04197j)
New chiral ligands derived from (+) and (-)-α-pinene for the enantioselective addition of diethylzinc to aldehydes
Tetrahedron Letters
(2016)
57
420
(doi: 10.1016/j.tetlet.2015.12.042)
Controlling Catalyst Bulk Reservoir Effects for Monolayer Hexagonal Boron Nitride CVD.
Nano Lett
(2016)
16
1250
(doi: 10.1021/acs.nanolett.5b04586)
Controlling Hydrogen Activation, Spillover, and Desorption with Pd-Au Single-Atom Alloys.
J Phys Chem Lett
(2016)
7
480
(doi: 10.1021/acs.jpclett.5b02400)
On the relation between thermostatted ring-polymer molecular dynamics and exact quantum dynamics
Molecular Physics
(2016)
114
1461
Supplementary material to "Future Arctic ozone recovery: the importance of chemistry and dynamics"
(2016)
