Results 61 to 70 of about 2,313,045 (347)
Nonlinear Elasticity of Single Collapsed Polyelectrolytes
, 2004 Nonlinear elastic responses of short and stiff polyelectrolytes are investigated by dynamic simulations on a single molecule level. When a polyelectrolyte condensate undergoes a mechanical unfolding, two types of force-extension curves, i.e., a force ...
C. G. Baumann +10 more
core +1 more source
Making Photoresponsive Metal–Organic Frameworks an Effective Class of Heterogeneous Photocatalyst
Advanced Functional Materials, EarlyView.This review summarizes photoresponsive MOFs for photocatalytic applications, focusing on their capacity to enhance light harvesting, charge transfer, and surface reactions. While existing studies provide foundational insights, emerging characterization techniques enable a deeper understanding of photoresponsive MOFs.
Rui Liu +3 more
wiley +1 more source
Polymer-Mode-Coupling Theory of Finite-Size-Fluctuation Effects in Entangled Solutions, Melts and Gels. I. General Formulation and Predictions [PDF]
, 1997 The transport coefficients of dense polymeric fluids are approximately calculated from the microscopic intermolecular forces. The following finite molecular weight effects are discussed within the Polymer-Mode-Coupling theory (PMC) and compared to the ...
Fuchs, Matthias, Schweizer, Kenneth S.
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Advanced Functional Materials, EarlyView.A novel polymer electrolyte membrane with a hyperbranched interpenetrating hydrogen bond network structure is developed. The unique structure of the hyperbranched polymer contributes to a high glass transition temperature exceeding 400 °C, enabling its operation at elevated temperatures for fuel cell applications.
Lingping Zeng +10 more
wiley +1 more source
Rekayasa Mesin, 2021 The addition of bio-additive in gasoline was needed in order to improve the anti-knock quality. The bio-additive used was orange peel in the form of essential oil.
Musyaroh Musyaroh +3 more
doaj +1 more source
Journal of Physical Chemistry B, 2021 This work presents a systematic assessment of QM/QM' and QM/MM models with respect to direct QM calculations for the tautomerization (neutral to zwitterion) reactions of amino acids (glycine, alanine, valine, aspartate, and neutral and protonated ...
Junbo Chen +4 more
semanticscholar +1 more source
, 2016 Valuable dynamical and structural information about neat liquid DMSO at ambient conditions can be obtained through study of low frequency vibrations in the far infrared (FIR), that is, terahertz regime.
Bagchi, Biman, Hazra, Milan
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Experimental and Theoretical Confirmation of Covalent Bonding in α‐Pu
Advanced Functional Materials, EarlyView.From a combination of Reverse Monte Carlo dynamic rigid body fitting to the pair distribution functional and novel density functional approaches, the existence of covalent bonding is confirmed in α‐plutonium alongside other bonding types (i.e. mixed bonding schemes).
Alexander R. Muñoz +10 more
wiley +1 more source
Intramolecular Coupling of Terminal Alkynes by Atom Manipulation [PDF]
Angewandte Chemie, 2020 Glaser‐like coupling of terminal alkynes by thermal activation is extensively used in on‐surface chemistry. Here we demonstrate an intramolecular version of this reaction performed by atom manipulation.
F. Albrecht +6 more
semanticscholar +1 more source
Theoretical study of intramolecular vibrational relaxation of acetylenic CH vibration for v=1 and 2 in large polyatomic molecules (CX3)3YCCH, where X=H or D and Y=C or Si [PDF]
, 1993 Quantum calculations are reported for the intramolecular vibrational energy redistribution and absorption spectra of the first two excited states of the acetylenic CH stretch vibration in the polyatomic molecules (CX3)3YCCH, where X=H or D and Y=C or Si.
Marcus, R. A., Stuchebrukhov, A. A.
core +1 more source