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- Currently displaying 3061 - 3080 of 30279 publications
Chapter 6 Monte Carlo simulations in various ensembles
(2023)
181
A practical perspective on the potential of rechargeable Mg batteries
Energy & Environmental Science
(2023)
16
1964
(doi: 10.1039/d2ee04121a)
Biophysical characterization of biomolecular condensates through microfluidic technologies
(2023)
(doi: 10.17863/CAM.96381)
Modulated self-assembly ofhcptopology MOFs of Zr/Hf and the extended 4,4′-(ethyne-1,2-diyl)dibenzoate linker
Crystengcomm
(2023)
25
2119
(doi: 10.1039/d2ce01529c)
Enantioselective C-C bond formation in complex multicatalytic systems
(2023)
73
211
(doi: 10.1016/bs.acat.2023.07.007)
Chapter 7 Molecular Dynamics in various ensembles
(2023)
233
In silico prediction of protodeboronation by a mechanistic DFT-aided algorithm
Aiche Annual Meeting Conference Proceedings
(2023)
2023-November
Using Transcriptomics and Cell Morphology Data in Drug Discovery: The Long Road to Practice
ACS MEDICINAL CHEMISTRY LETTERS
(2023)
14
386
Minimum in the pressure dependence of the interfacial free energy between ice Ih and water
(2022)
Dynamic Diastereomerism on Chiral Surfaces.
Journal of Physical Chemistry C
(2022)
127
229
(doi: 10.1021/acs.jpcc.2c06351)
Tie-Line Analysis Reveals Interactions Driving Heteromolecular Condensate Formation
Physical Review X
(2022)
12
041038
(doi: 10.1103/physrevx.12.041038)
Ultrahigh-Throughput Directed Evolution of a Metal-Free α/β-Hydrolase with a Cys-His-Asp Triad into an Efficient Phosphotriesterase.
Journal of the American Chemical Society
(2022)
145
1083
(doi: 10.1021/jacs.2c10673)
Adsorption Behavior of the Coenzyme NADH at the Carbon/Electrolyte Interface Determined by Neutron Reflectometry
Langmuir
(2022)
39
668
(doi: 10.1021/acs.langmuir.2c03026)
Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach
Journal of chemical theory and computation
(2022)
19
174
(doi: 10.1021/acs.jctc.2c01031)
Allosteric and Electrostatic Cooperativity in a Heteroditopic Halogen Bonding Receptor System
Chemistry, an Asian journal
(2022)
18
e202201170
(doi: 10.1002/asia.202201170)
Quantitative Singlet Fission in Solution Processable Dithienohexatrienes
J Am Chem Soc
(2022)
144
23516
(doi: 10.1021/jacs.2c10254)
A Solid State NMR Investigation of Poly (ADP-ribose) and Its Involvement in Tissue Calcification
(2022)
(doi: 10.17863/CAM.95860)
A Kinetic Map of the Influence of Biomimetic Lipid Model Membranes on Aβ42 Aggregation.
ACS Chem Neurosci
(2022)
14
323
(doi: 10.1021/acschemneuro.2c00765)