Results 121 to 130 of about 300,815 (286)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

The impact of Brownian motion on the optical solutions of the stochastic ultra-short pulses mathematical model

Alexandria Engineering Journal
The stochastic generalized nonlinear Schrödinger equation (SGNLSE) of third order in the Stratonovich sense is examined here. New elliptic, hyperbolic, trigonometric, and rational stochastic solutions are obtained using a modified mapping method. Because
Wael W. Mohammed, Clemente Cesarano, Naveed Ikbal Alqsair, Rabeb Sidaoui   +3 more
doaj   +1 more source

Chiral SURMOFs for Vibrational Circular Dichroism: Multiscale Modeling and Experimental Insights

Advanced Functional Materials, EarlyView.
The use of solid‐state vibrational circular dichroism (VCD) for MOFs is still somewhat unexplored, and in this work, it is shown that chiral surface‐anchored MOFs (SURMOFs) grown on CaF2 provide an excellent platform for VCD. Experimental results are validated through multiscale modeling, showing strong agreement across multiple spectroscopic ...
Ana C. Fingolo, Nadine von Coelln, Benedikt Zerulla, Marjan Krstić, Christian Huck, Thomas G. Mayerhöfer, Christoph Krafft, Petra Tegeder, Carsten Rockstuhl, Christof Wöll   +9 more
wiley   +1 more source

Counterion Dependent Side‐Chain Relaxation Stiffens a Chemically Doped Thienothiophene Copolymer

Advanced Functional Materials, EarlyView.
Oxidation of a thienothiophene copolymer, p(g3TT‐T2), via different doping strategies and dopant molecules resulted in materials with similar oxidation levels and a high electrical conductivity of ≈100 S cm−1. However, mechanical properties varied significantly, with sub‐glass transition temperatures and elastic moduli spanning from –44°C to –3°C and ...
Mariavittoria Craighero, Meghna Jha, Elsa Veronica Flores‐Vela, Joost Kimpel, Andreas Schaefer, Jiali Guo, Jesika Asatryan, Alberto Peinador Veiga, Shuichi Haraguchi, Per‐Anders Carlsson, Jaime Martín, Mariano Campoy‐Quiles, Christian Müller   +12 more
wiley   +1 more source

Imaging of Biphoton States: Fundamentals and Applications

Advanced Functional Materials, EarlyView.
Quantum states of two photons exhibit a rich polarization and spatial structure, which provides a fundamental resource of strongly correlated and entangled states. This review analyzes the physics of these intriguing properties and explores the various techniques and technologies available to measure them, including the state of the art of their ...
Alessio D'Errico, Ebrahim Karimi
wiley   +1 more source

RESEARCH ON THE MILK PRODUCTION DIFFERENCES DETERMINED BY THE CALVING MONTH OF THE DAIRY COWS [PDF]

Scientific Papers Series : Management, Economic Engineering in Agriculture and Rural Development, 2014
The paper aimed to assess the effect of the calving month on milk production and to correct the biases determined by this environmental factor in order to increase the precision in the breeding value estimation and assure a better evaluation of candidate
Agatha POPESCU
doaj  

Copper‐Based Crystalline‐Metallic Glass Composite Thin Films: A Novel Material with Enhanced Strength and Thermally Stable Nanotwins

Advanced Functional Materials, EarlyView.
A Cu‐based crystal‐glass composite with high‐density twins is identified by a fast screening technique using combinatorial sputtering together with XRD and nanoindentation mapping. This bamboo‐like structure demonstrates homogenous plastic flow and retains high strength during in situ high temperature tests, up to 1 GPa at 550°C, owing to those ...
Chunhua Tian, Amit Sharma, Krzysztof Wieczerzak, Alexander Groetsch, Manish Jain, Nicolò Maria della Ventura, Remo Widmer, Fedor F. Klimashin, Johann Michler, Jakob Schwiedrzik, Xavier Maeder   +10 more
wiley   +1 more source

Nano‐ and Micro‐Sized Solid Materials Used as Antiviral Agents

Advanced Functional Materials, EarlyView.
Due to the rise of viral infections in humans and possible viral outbreaks, the use of nano‐ or micro‐sized materials as antiviral agents is rapidly increasing. This review explores their antiviral properties against RNA and DNA viruses, either as a prevention or a treatment tool, by delving into their mechanisms of action and how to properly assess ...
Orfeas‐Evangelos Plastiras, Imelda Raczkiewicz, Peggy Bouquet, Jean‐Philippe Dacquin, Jeremy Dhainaut, Anne Goffard, Christophe Volkringer   +6 more
wiley   +1 more source

Predicting enthalpy of formation of benzenoid hydrocarbons and ordering molecular trees using general multiplicative Zagreb indices

Heliyon
Many existing studies show that there exists a strong relationship between structures and characteristics of molecules. Topological indices are often used in modeling the properties of chemical compounds and biological activities in theoretical chemistry.
Sadia Noureen, Akbar Ali, Akhlaq A. Bhatti, Abdulaziz M. Alanazi, Yilun Shang   +4 more
doaj   +1 more source

Panel Regression with Random Noise [PDF]

The paper explores the effect of measurement errors on the estimation of a linear panel data model. The conventional fixed effects estimator, which ignores measurement errors, is biased.
Gerd Ronning, Hans Schneeweiss
core