Results 51 to 60 of about 93,580 (281)
Condensed Matter Physics, 2021 Monte Carlo computer simulations in the canonical and grand canonical statistical ensemble were used to explore the properties of the central force (CF1) water model.
V. Ravnik +3 more
doaj +1 more source
, 2017 The calculation of caloric properties such as heat capacity, Joule-Thomson coefficients and the speed of sound by classical force-field-based molecular simulation methodology has received scant attention in the literature, particularly for systems ...
Jirsák, Jan +3 more
core +1 more source
Advanced Functional Materials, EarlyView.The layer‐by‐layer (LbL) assembly of coordination solids, enabled by the surface‐mounted metal‐organic framework (SURMOF) platform, is on the cusp of generating the organic counterpart of the epitaxy of inorganics. The programmable and sequential SURMOF protocol, optimized by machine learning (ML), is suited for accessing high‐quality thin films of ...
Zhengtao Xu +2 more
wiley +1 more source
Isolation of Cellulose Nanofibers: Effect of Biotreatment on Hydrogen Bonding Network in Wood Fibers
International Journal of Polymer Science, 2011 The use of cellulose nanofibres as high-strength reinforcement in nano-biocomposites is very enthusiastically being explored due to their biodegradability, renewability, and high specific strength properties. Cellulose, through a regular network of inter-
Sreekumar Janardhnan, Mohini Sain
doaj +1 more source
On the zwitterionic nature of gas-phase peptides and protein ions. [PDF]
PLoS Computational Biology, 2010 Determining the total number of charged residues corresponding to a given value of net charge for peptides and proteins in gas phase is crucial for the interpretation of mass-spectrometry data, yet it is far from being understood.
Roberto Marchese +3 more
doaj +1 more source
Advanced Functional Materials, EarlyView.Bio‐based and (semi‐)synthetic zwitterion‐modified novel materials and fully synthetic next‐generation alternatives show the importance of material design for different biomedical applications. The zwitterionic character affects the physiochemical behavior of the material and deepens the understanding of chemical interaction mechanisms within the ...
Theresa M. Lutz +3 more
wiley +1 more source
The role of activated carbon nanoparticles on hydro-degumming non-edible vegetable oils
Alexandria Engineering Journal, 2022 This study aims to assess the role of activated carbon nanoparticles in hydro-degumming non-edible vegetable oils. Bamboo Activated Carbon Nanoparticles (BAC-NPs) is added to oils in degumming process.
Syahruddin Syahruddin +3 more
doaj +1 more source
The origin of high-resolution IETS-STM images of organic molecules with functionalized tips [PDF]
, 2014 Recently, the family of high-resolution scanning probe imaging techniques using decorated tips has been complimented by a method based on inelastic electron tunneling spectroscopy (IETS).
Hapala, Prokop +3 more
core +2 more sources
Advanced Functional Materials, EarlyView.This review systematically highlights the latest achievements in mixed‐valence states relevant to hydrogen and oxygen evolution reactions, providing essential insights into future directions and methods for large‐scale practical implementation. This critical review is expected to provide an overview of recent advancements in diverse valence‐state metal
Jitendra N. Tiwari +4 more
wiley +1 more source
Applied Sciences, 2020 The one-dimensional Schrödinger equation, applied to the H2 intramolecular stretch coordinate in singly to quadruply occupied large cages in extended Type II (sII) hydrogen clathrate hydrate, was solved numerically herein via potential-energy scans from ...
Christian J. Burnham +3 more
doaj +1 more source