Results 61 to 70 of about 119,560 (316)
Bonehead Non-Proliferation [PDF]
, 1993 The Review and Extension Conference of the Non-Proliferation Treaty (NPT) will convene in 1995. The primary issue to be considered at the Extension Conference is whether the NPT, universally regarded as the most important bulwark against the spread of ...
Koplow, David A
core +1 more source
, 2014 Soft porous crystals present a challenge to molecular dynamics simulations with flexible size and shape of the simulation cell (i.e., in the NPT ensemble), since their framework responds very sensitively to small external stimuli. Hence, all interactions
Belkhodja, Yacine +4 more
core +1 more source
Advanced Functional Materials, EarlyView.We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu +3 more
wiley +1 more source
Kantian Nonideal Theory and Nuclear Proliferation [PDF]
, 2010 Recent revelations of Iran’s hitherto undisclosed uranium enrichment programs have once again incited western fears that Tehran seeks nuclear weapons’ capability. Their fears seem motivated by more than the concern for compliance
Doyle, Ii, Thomas E.
core
Statistical distribution of components of energy eigenfunctions: from nearly-integrable to chaotic
, 2016 We study the statistical distribution of components in the non-perturbative parts of energy eigenfunctions (EFs), in which main bodies of the EFs lie. Our numerical simulations in five models show that deviation of the distribution from the prediction of
Wang, Jiaozi, Wang, Wen-ge
core +1 more source
Advanced Healthcare Materials, EarlyView.Coarse‐grained MD simulations capture the effects of liposome composition and size on protein adsorption onto the liposome surface, in agreement with experiments. Liposome‐protein interactions are energetically stabilized by the replacement of abundant proteins with high‐affinity proteins on the liposome surface through electrostatic and hydrophobic ...
Hwankyu Lee
wiley +1 more source
Journal of Chemistry, 2021 The aim of the study was to compare the physicochemical parameters, sugar, vitamin C, and phenolic profiles in five genotypes of local indeterminate tunnel tomato hybrid (LITTH) (LITTH-778, LITTH-784, LITTH-786, LITTH-788, and LITTH-790) of natural ...
Sajid Dominic +10 more
doaj +1 more source
Translational framework for implementation evaluation and research: Protocol for a qualitative systematic review of studies informed by Normalization Process Theory (NPT) [PDF]
, 2022 Carl May +13 more
openalex +1 more source
Engineered Protein‐Based Ionic Conductors for Sustainable Energy Storage Applications
Advanced Materials, EarlyView.Rational incorporation of charged residues into an engineered, self‐assembling protein scaffold yields solid‐state protein films with outstanding ionic conductivity. Salt‐doping further enhances conductivity, an effect amplified in the engineered variants. These properties enable the material integration into an efficient supercapacitor.
Juan David Cortés‐Ossa +14 more
wiley +1 more source
Superionic Amorphous Li2ZrCl6 and Li2HfCl6
Advanced Materials, EarlyView.Amorphous Li2HfCl6 and L2ZrCl6 are shown to be promising solid‐state electrolytes with predicted ionic conductivities >20 mS·cm−1. Molecular dynamics simulations with machine‐learning force fields reveal that anion vibrations and flexible MCl6 octahedra soften the Li coordination cage and enhance mobility. Correlation between Li‐ion diffusivity and the
Shukai Yao, De‐en Jiang
wiley +1 more source