Results 151 to 160 of about 4,029 (181)

Density- and Temperature-Dependent Potentials: Redefinition of the Local Density to Improve the Simulation of Liquids within Generalized Dissipative Particle Dynamics. [PDF]

J Chem Theory Comput
Colella G, Larentzos JP, Bresme F, Bonet Avalos J.   +3 more
europepmc   +1 more source

Redefining LiF as a Nanostructured Building Block for Interphase Engineering in Lithium Metal Batteries

Advanced Science, EarlyView.
LiF‐rich solid electrolyte interphases in lithium metal batteries are redefined as controllable nanostructured building blocks rather than homogeneous protective films. This review shows how LiF distribution, grain boundaries, and heterogeneous interfaces govern electron blocking and Li ion transport, and compares fluorinated electrolytes, artificial ...
Gwangsik Kim, JinHyeok Cha
wiley   +1 more source

Benchmark Measurements for Energetic Salts: A Prerequisite toward Improved Estimation Methods for Lattice Enthalpy. [PDF]

ACS Omega
Habert L, Mathieu D, Quéré S, Daniel M, Pasquinet E.   +4 more
europepmc   +1 more source

Free-Energy Landscapes of HBV Hexamer Closure Reveal Key Structural Features of the Transition. [PDF]

J Chem Theory Comput
Fan Z, Pavlova A, Lynch DL, Chipot C, Gumbart JC.   +4 more
europepmc   +1 more source

Static and Dynamic Correlations in Binary and Ternary Mixtures of TMAO, Urea, and Water. [PDF]

J Phys Chem B
Hölzl C, Horinek D.
europepmc   +1 more source

Thermodynamics and Kinetics of the Deintercalation of a Novel Anthracycline from Double-Stranded Oligonucleotide DNA. [PDF]

J Phys Chem B
Mikaelian G, Sarimveis H, Theodorou DN, Megariotis G.   +3 more
europepmc   +1 more source

Generative Protein Design: From Deep Learning Algorithms to Translational Applications. [PDF]

Int J Mol Sci
Luo S, Zhou B.
europepmc   +1 more source

Thermo-Flux: generation and analysis of comprehensive thermodynamic-stoichiometric metabolic network models

Smith EN, Fargier N, Losa J, Heinemann M.   +3 more
europepmc   +1 more source