This week: improved formalism for quantum Monte Carlo calculations of energy derivatives and properties, toxicokinetic and toxicodynamic modeling, pulsating polymer micelles — and more!
Each and every day, ACS grants free access to a new peer-reviewed research article from one of the Society’s journals. These articles are specially chosen by a team of scientific editors of ACS journals from around the world to highlight the transformative power of chemistry. Access to these articles will remain open to all as a public service.
Check out this week’s picks!
Triquinanes and Related Sesquiterpenes Revisited Computationally: Structure Corrections of Hirsutanols B and D, Hirsutenol E, Cucumin B, Antrodins C–E, Chondroterpenes A and H, Chondrosterins C and E, Dichrocephone A, and Pethybrene
J. Org. Chem., Article ASAP
Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow–Slater Expansions
J. Chem. Theory Comput., Article ASAP
Pulsating Polymer Micelles via ATP-Fueled Dissipative Self-Assembly
ACS Macro Lett., 2017, 6, pp 1151–1155
50th Anniversary Perspective: Polymers and Mixed Matrix Membranes for Gas and Vapor Separation: A Review and Prospective Opportunities
Macromolecules, Article ASAP
PtRu Alloy Nanoparticles I. Physicochemical Characterizations of Structures Formed as a Function of the Type of Deposition and Their Evolutions on Annealing
J. Phys. Chem. C, Article ASAP
Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design
J. Med. Chem., Article ASAP
Can Toxicokinetic and Toxicodynamic Modeling Be Used to Understand and Predict Synergistic Interactions between Chemicals?
Environ. Sci. Technol., Article ASAP
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