Results 51 to 60 of about 302,980 (294)

Harnessing Fungal Biowelding for Constructing Mycelium‐Engineered Materials

open access: yesAdvanced Engineering Materials, EarlyView.
Mycelium‐bound composites (MBCs) offer low‐carbon alternatives for construction, yet interfacial bonding remains a critical challenge. This review examines fungal biowelding as a biocompatible adhesive, elucidating mycelium‐mediated interfacial mechanisms and their role in material assembly. Strategies to optimize biowelding are discussed, highlighting
Xue Brenda Bai   +2 more
wiley   +1 more source

3-(3,5-Dichlorophenyl)benzene-1,2-diol

open access: yesIUCrData, 2019
The title structure, C12H8Cl2O2, is a putative metabolite of 3,5-dichlorobiphenyl (PCB 14). The dihedral angle between the two benzene rings of the title compounds is 58.86 (4)°.
Ram Dhakal   +2 more
doaj   +1 more source

The Quantum Electronic Partitioning as Modernization in the Studies of the Intermolecular Interactions

open access: yesOrbital: The Electronic Journal of Chemistry, 2022
Throughout the years, the evolution in the works involving hydrogen bond based on the direct determination of the interaction energy has become limited in order to characterize the electronic nature and interaction strength of the intermolecular system.
Boaz Galdino Oliveira
doaj   +1 more source

Simple Two-Dimensional Model for the Elastic Origin of Cooperativity among Spin States of Spin-Crossover Complexes

open access: yes, 2007
We study the origin of the cooperative nature of spin crossover (SC) between low spin (LS) and high spin (HS) states from the view point of elastic interactions among molecules.
J. Wajnflasz   +4 more
core   +1 more source

Analysis of the conformational profiles of fenamates shows route towards novel, higher accuracy, force-fields for pharmaceuticals [PDF]

open access: yes, 2015
In traditional molecular mechanics force fields, intramolecular non-bonded interactions are modelled as intermolecular interactions, and the form of the torsion potential is based on the conformational profiles of small organic molecules.
Galek, P, Price, SL, Uzoh, OG
core   +1 more source

Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films

open access: yesAdvanced Functional Materials, EarlyView.
The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram   +2 more
wiley   +1 more source

Supramolecular interactions in the solid state

open access: yesIUCrJ, 2015
In the last few decades, supramolecular chemistry has been at the forefront of chemical research, with the aim of understanding chemistry beyond the covalent bond.
Giuseppe Resnati   +3 more
doaj   +1 more source

Intermolecular Interactions as Driving Force of Increasing Multiphoton Absorption in a Perylene Diimide‐Based Coordination Polymer

open access: yesAdvanced Functional Materials, EarlyView.
This study uncovers the unexplored role of intermolecular interactions in multiphoton absorption in coordination polymers. By analyzing [Zn2tpda(DMA)2(DMF)0.3], it shows how the electronic coupling of the chromophores and confinement in the MOF enhance two‐and three‐photon absorption.
Simon Nicolas Deger   +11 more
wiley   +1 more source

Molecular modeling of intermolecular and intramolecular excluded volume interactions for polymers at interfaces [PDF]

open access: yes, 2009
A hybrid modeling approach is proposed for inhomogeneous polymer solutions. The method is illustrated for the depletion problem with polymer chains up to N=103 segments in semidilute solutions and good solvent conditions. In a three-dimensional volume, a
Charlaganov, M., Leermakers, F.A.M.
core   +3 more sources

Rational Fine‐Tuning of MOF Pore Metrics: Enhanced SO2 Capture and Sensing with Optimal Multi‐Site Interactions

open access: yesAdvanced Functional Materials, EarlyView.
A pore tuning strategy to amplify the multi‐site MOF‐SO2 interactions is proposed to achieve an enhanced trace SO2 capture and chemiresistive sensing in highly stable isostructural DMOFs by annelating benzene rings. This work provides a facile strategy to achieve tailor‐made stable MOF materials for specific multifunctional applications.
Shanghua Xing   +9 more
wiley   +1 more source

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