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- Currently displaying 9881 - 9900 of 29856 publications
Linked coupled cluster Monte Carlo.
The Journal of chemical physics
(2016)
144
044111
(doi: 10.1063/1.4940317)
Trigonal (-3) symmetry octahedral lanthanide(III) complexes of zwitterionic tripodal ligands: Luminescence and magnetism
Supramolecular Chemistry
(2016)
28
125
Development and Performance of Iron Based Oxygen Carriers Containing Calcium Ferrites for Chemical Looping Combustion and Production of Hydrogen Introduction
International Journal of Hydrogen Energy
(2016)
41
4073
Hofmeister Ion-Induced Changes in Water Structure Correlate with Changes in Solvation of an Aggregated Protein Complex.
Langmuir : the ACS journal of surfaces and colloids
(2016)
32
1360
(doi: 10.1021/acs.langmuir.5b04489)
The impact of residential combustion emissions on atmospheric aerosol, human health, and climate
Atmospheric Chemistry and Physics
(2016)
16
873
(doi: 10.5194/acp-16-873-2016)
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)
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.
Phys Rev 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 and 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 Zn
Chemical science
(2016)
7
2614
(doi: 10.1039/c5sc04906g)
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)
The total synthesis of K-252c (staurosporinone) via a sequential C-H functionalisation strategy
Chem Sci
(2016)
7
2706
(doi: 10.1039/c5sc04399a)
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)
ChemInform Abstract: Hypervalent Iodine(III) in Direct Oxidative Amination of Arenes with Heteroaromatic Amines.
ChemInform
(2016)
47
no
(doi: 10.1002/chin.201606105)
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 Transactions
(2016)
45
2430
(doi: 10.1039/c5dt04822b)