Results 201 to 210 of about 7,310,138 (312)

Nanoconfinement‐Induced Second‐Harmonic Circular Dichroism via Chirality–Ferroelectric Coupling

Advanced Functional Materials, EarlyView.
Nanoconfinement of a ferroelectric nematic liquid crystal within a chiral nanoporous sponge yields an enhanced second‐harmonic generation circular dichroism (|gSHG–CD| ≈ 1.1). Polarization‐resolved analysis suggests an additional magnetic‐dipole‐associated nonlinear contribution under nanoconfinement, highlighting chirality–ferroelectric coupling as a ...
Jae‐Jin Lee, Hiroya Nishikawa, Tae‐Woong Moon, Dong‐Ha Kim, Fumito Araoka, Suk‐Won Choi   +5 more
wiley   +1 more source

Anharmonic and surface effects on thermodynamic properties of Ag, Al, and Cu nanostructures. [PDF]

RSC Adv
Dat HX, Thao NT, Hieu HK.
europepmc   +1 more source

From Knowledge to Literacy: Exploring the Theoretical Interface between Scientific Understanding and Chemistry Education

Mayker Lázaro Dantas Miranda
openalex   +2 more sources

Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry [PDF]

Rommie E. Amaro, Víctor S. Batista, Jochen Blumberger, Yee Siew Choong, Clémence Corminbœuf, Zoe Cournia, Qiang Cui, Marco De Vivo, Francesco A. Evangelista, Yi Qin Gao, Debashree Ghosh, Xiao Dong He, Olexandr Isayev, Syma Khalid, Johannes Kirchmair, John R. Kitchin, Haiyan Liu, Kevin J. Naidoo, Duc Duy Nguyen, Ariane Nunes‐Alves, Giulia Palermo, Brett Savoie, Thereza A. Soares, Pratyush Tiwary, Guowei Wei, Xiao Zheng, Tong Zhu, Kenneth M. Merz, Laura Gagliardi   +28 more
openalex   +1 more source

Preferential Interfacial Engineering of Hydrogels via Interdigitated Nanoparticle Assembly

Advanced Functional Materials, EarlyView.
Robust surface functionalization of hydrogel surfaces is performed via interdigitated metal nanoparticle assembly, inducing strong affinity with the hydrogel matrix. The partially exposed nanoparticle domains act as interfacial nanobridges that mediate both chemical and physical bonding with diverse materials, including small molecules, fluorous ...
Hyeonjin Kim, Hyeseoung Lim, Ji Min Lee, Heeyeon Kang, Yongkwon Song, Woojae Chang, So‐Jin Park, Jin Yoo, Atsushi Hozumi, Jinhan Cho, Jongkuk Ko, Sanghyuk Wooh   +11 more
wiley   +1 more source

Spectroscopic characterization and DFT-based structural analysis of a novel sulfonyl-acetamide imidazole derivative with multi-target protein docking studies. [PDF]

RSC Adv
Geetha R, Balachandran V, Arulraj R, Thirughanasambantham N, Narayana B, Mohan Radheep D, Jayashree A, Venkatachalapathy VSK, Ramasami P.   +8 more
europepmc   +1 more source

Melanin's Role in Balancing Mechanical Strength and Reproductive Output in Environmentally Stressed Fungal Spores

Advanced Functional Materials, EarlyView.
Melanin content directly controls fungal spore mechanical properties, with pigmented spores achieving rupture forces two orders of magnitude higher than hyaline spores. Environmental stress drives this quantity‐quality tradeoff; stressed species invest energy in melanin‐reinforced, mechanically superior thick‐walled, super‐hydrophobic spores, while ...
Atul Agrawal, Steven E. Naleway
wiley   +1 more source

Toward Accurate RIXS Spectra at Heavy Element Edges: A Relativistic Four-Component and Exact Two-Component TDDFT Approach. [PDF]

J Chem Theory Comput
Konecny L, Dada MA, Nascimento DR, Repisky M.   +3 more
europepmc   +1 more source

Theoretical and computational chemistry in Brazil (1981-2023): a small language model (SLM) approach to analyzing scientific trends from the abstracts of the Brazilian Symposium of Theoretical

Rubens C. Souza, Jakler Nichele, Júlio César Duarte, Alfredo Mayall Simas, Marco Antônio Chaer Nascimento, Itamar Borges, Itamar Borges   +6 more
openalex   +1 more source

Physics‐Grounded Materials Artificial Intelligence for Reliable Materials Discovery

Advanced Functional Materials, EarlyView.
Physics‐Grounded Materials AI (PhysMat AI) integrates physical priors, descriptors, constraints, verification, and data infrastructure into a unified full‐stack framework, enabling reliable, interpretable, and autonomous AI‐driven materials discovery.
Yuhang Wang, Qian Wang, Seong‐Hoon Jang, Hao Li   +3 more
wiley   +1 more source