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- Currently displaying 7941 - 7960 of 30238 publications
Computational Methodology for Solubility Prediction: Application to Sparingly Soluble Organic/Inorganic Materials
The Journal of Chemical Physics
(2018)
149
054102
(doi: 10.1063/1.5040366)
Relaxation of long-lived modes in NMR of deuterated methyl groups.
Journal of Chemical Physics
(2018)
149
054202
(doi: 10.1063/1.5031177)
Field-Programmable Gate Arrays and Quantum Monte Carlo: Power Efficient Co-processing for Scalable High-Performance Computing
(2018)
(doi: 10.48550/arxiv.1808.02402)
Facet-Resolved Electrochemistry of Polycrystalline Boron-Doped Diamond Electrodes: Microscopic Factors Determining the Solvent Window in Aqueous Potassium Chloride Solutions
Chemelectrochem
(2018)
5
3028
(doi: 10.1002/celc.201800770)
Synthesis and characterisation of peroxypinic acids as proxies for highly oxygenated molecules (HOMs) in secondary organic aerosol
Atmospheric Chemistry and Physics
(2018)
18
10973
(doi: 10.5194/acp-18-10973-2018)
Measuring lactase enzymatic activity in the teaching lab
Journal of Visualized Experiments
(2018)
2018
54377
(doi: 10.3791/54377)
One‐Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single‐Wall Carbon Nanotubes
Angewandte Chemie
(2018)
130
11823
(doi: 10.1002/ange.201805856)
One-Dimensional Arsenic Allotropes: Polymerization of Yellow Arsenic Inside Single-Wall Carbon Nanotubes
Angewandte Chemie (International ed. in English)
(2018)
57
11649
(doi: 10.1002/anie.201805856)
Visualization of Water-Induced Surface Segregation of Polarons on Rutile TiO2(110).
The Journal of Physical Chemistry Letters
(2018)
9
4865
(doi: 10.1021/acs.jpclett.8b01904)
Time Propagation and Spectroscopy of Fermionic Systems Using a Stochastic Technique
Physical Review Letters
(2018)
121
056401
GRAIL: GRids of phArmacophore Interaction fieLds.
Journal of chemical theory and computation
(2018)
14
4958
(doi: 10.1021/acs.jctc.8b00495)
Exploring Classes of Co-Solvents for Fast-Charging Lithium-Ion Cells
Journal of the Electrochemical Society
(2018)
165
a2365
(doi: 10.1149/2.1351810jes)
Promiscuous and Selective: How Intrinsically Disordered BH3 Proteins Interact with Their Pro-survival Partner MCL-1.
Journal of Molecular Biology
(2018)
430
2468
(doi: 10.1016/j.jmb.2018.04.004)
A structural ensemble modulation mechanism of small molecule binding to disordered proteins
Journal of Molecular Biology
(2018)
430
2288
(doi: 10.1016/j.jmb.2018.03.015)
Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics.
Journal of Chemical Theory and Computation
(2018)
14
4985
(doi: 10.1021/acs.jctc.8b00448)
Bonding interactions between ligand-decorated colloidal particles
Molecular Physics
(2018)
116
3392
Combining Affinity Selection and Specific Ion Mobility for Microchip Protein Sensing
Analytical chemistry
(2018)
90
10302
(doi: 10.1021/acs.analchem.8b02051)
Welcoming Gallium- and Indium-Fumarate MOFs to the Family: Synthesis, Comprehensive Characterization, Observation of Porous Hydrophobicity, and CO
ACS Appl Mater Interfaces
(2018)
10
28582
(doi: 10.1021/acsami.8b08562)
Predicting Pathways between Distant Configurations for Biomolecules
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14
4271
(doi: 10.1021/acs.jctc.8b00370)
Artificial water channels—deconvolution of natural Aquaporins through synthetic design
npj Clean Water
(2018)
1
13
(doi: 10.1038/s41545-018-0013-y)