Results 171 to 180 of about 18,171 (291)

Conformational chirality in buckled molecular silicenes: a precursor for chiral magnets. [PDF]

RSC Adv
Muskan, Bhattacharya D, Shil S.
europepmc   +1 more source

Minimum atom-bond sum-connectivity index of trees with a fixed order and/or number of pendent vertices

Tariq Alraqad, Igor Milovanović, Hicham Saber, Akbar Ali, Jaya Percival Mazorodze, Adel A. Attiya   +5 more
openalex   +1 more source

Notes on trees with minimal atom-bond connectivity index

, 2012
If G = (V, E) is a molecular graph, and d(u) is the degree of its vertex u, then the atom-bond connectivity index of G is \(ABC = \sum_{uv\in E} \sqrt{[d(u) + d(v) − 2]/[d(u) d(v)]}\). This molecular structure descriptor, introduced by Estrada et al. in the late 1990s, found recently interesting applications in the study of the thermodynamic stability ...
Gutman, Ivan, Furtula, Boris, Ivanović, Miloš   +2 more
openaire   +1 more source

Self‐Assembled Monolayers in p–i–n Perovskite Solar Cells: Molecular Design, Interfacial Engineering, and Machine Learning–Accelerated Material Discovery

Advanced Materials, EarlyView.
This review highlights the role of self‐assembled monolayers (SAMs) in perovskite solar cells, covering molecular engineering, multifunctional interface regulation, machine learning (ML) accelerated discovery, advanced device architectures, and pathways toward scalable fabrication and commercialization for high‐efficiency and stable single‐junction and
Asmat Ullah, Ying Luo, Stefaan De Wolf
wiley   +1 more source

Predictive modeling of copper iodide properties using graph-theoretical descriptors. [PDF]

Sci Rep
Fraz HM, Ali K, Nadeem MF, Ali N, Tolasa FT.   +4 more
europepmc   +1 more source

Atom-bond connectivity index versus Graovac-Ghorbani analog

, 2016
Published
openaire   +1 more source

4D‐Printed Spin Crossover Metamaterials with Giant Programmable Positive or Negative Thermal Expansion

Advanced Materials, EarlyView.
Spin crossover composite filaments are implemented for the rational design of 4D‐printed mechanical metamaterials. The obtained bi‐material structures guided by a theoretical analysis based on analytical calculations and Finite Element Analysis simulations exhibit giant programmable positive or negative deformation with coefficients of thermal ...
Adelais Trapali, Yuteng Zhang, Seyed Ehsan Alavi, Nagham Mawassy, Raja Zulkarnain, Gábor Molnár, Lionel Salmon, Azzedine Bousseksou   +7 more
wiley   +1 more source

QSAR analysis of drugs using graph based degree based topological indices and regression models. [PDF]

Sci Rep
Mufti ZS, Kabeer A, Almehizia AA, Ganati GA.   +3 more
europepmc   +1 more source

n‐Type Polymer Radio Frequency Rectifiers Operating at 18.5 GHz

Advanced Materials, EarlyView.
Combining an n‐doped polymer semiconductor with wafer‐scale asymmetric planar electrodes featuring work function‐engineered contacts yields radio‐frequency diodes and rectifying circuits operating at up to 18.5 GHz. The devices combine scalable manufacturing with an operating frequency previously unattainable by large‐area organic electronics ...
Lazaros Panagiotidis, Filip Aniés, Yiyang Yu, Mohammed Ghadiyali, Hendrik Faber, Zhanibek Bizak, Youssef Kabri, Pavlos Tzourmpakis, Suman Mandal, Linqu Luo, Temur Maksudov, Mohamad Insan Nugraha, Harold F. Mazo‐Mantilla, Patrice Vanelle, Julie Broggi, Khaled N. Salama, Udo Schwingenschlögl, Martin Heeney, Atif Shamim, Thomas D. Anthopoulos   +19 more
wiley   +1 more source

Elephant‐Skin‐Inspired Porous Cementitious Tiles with Programmable Crack Networks for Passive Cooling

Advanced Materials, EarlyView.
Elephant‐skin‐inspired crack networks are programmed in porous diatomaceous earth (DE)‐cement composites using substrate‐guided, stress‐concentration induced fracture. The resulting crack lattices act as capillary conduits that redistribute water, while the porous matrix stores moisture.
Qingya Huang, Kun‐Hao Yu, Ji Yoon Bae, Yunchan Lee, Dorit Aviv, Shu Yang   +5 more
wiley   +1 more source