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- Currently displaying 10721 - 10740 of 30279 publications
Locating Instantons in Calculations of Tunneling Splittings: The Test Case of Malonaldehyde
Journal of Chemical Theory and Computation
(2016)
12
787
(doi: 10.1021/acs.jctc.5b01073)
Time Evolution of the Wettability of Supported Graphene under Ambient Air Exposure.
The journal of physical chemistry. C, Nanomaterials and interfaces
(2016)
120
2215
(doi: 10.1021/acs.jpcc.5b10492)
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)
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)
Hamiltonian Dynamics of Protein Filament Formation.
Physical Review Letters
(2016)
116
038101
Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6 cages.
Chemical science
(2016)
7
2614
(doi: 10.1039/c5sc04906g)
Connecting defects and amorphization in UiO-66 and MIL-140 metal–organic frameworks: a combined experimental and computational study.
Phys Chem Chem Phys
(2016)
18
2192
(doi: 10.1039/c5cp06798g)
The total synthesis of K-252c (staurosporinone) via a sequential C-H functionalisation strategy
Chemical science
(2016)
7
2706
(doi: 10.1039/c5sc04399a)
ChemInform Abstract: Hypervalent Iodine(III) in Direct Oxidative Amination of Arenes with Heteroaromatic Amines.
ChemInform
(2016)
47
no
(doi: 10.1002/chin.201606105)
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)
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)
Beneficial effects of substituting trivalent ions in the B-site of La 0.5 Sr 0.5 Mn 1−x A x O 3 (A = Al, Ga, Sc) on the thermochemical generation of CO and H 2 from CO 2 and H 2 O
Dalton Transactions
(2016)
45
2430
(doi: 10.1039/c5dt04822b)
A new <i>Pseudomonas</i> quinolone signal (PQS) binding partner: MexG.
Chemical Science
(2016)
7
2553
(doi: 10.1039/c5sc04197j)
On the relation between thermostatted ring-polymer molecular dynamics and exact quantum dynamics
Molecular Physics
(2016)
114
1461
Future Arctic ozone recovery: the importance of chemistry and dynamics
Atmospheric Chemistry and Physics Discussions
(2016)
1
(doi: 10.5194/acp-2015-998)
Supplementary material to "Future Arctic ozone recovery: the importance of chemistry and dynamics"
(2016)
