Results 151 to 160 of about 41,696 (201)

Computational Characterization of the Energetics, Structure, and Spectroscopy of Biofuel Precursors: The Case of Furfural‐Acetone‐Furfural

Journal of Computational Chemistry, Volume 47, Issue 1, 05 January 2026.
First‐principles computational characterization of the furfural‐acetone‐furfural adduct from structural motif and conformers to vibrational and electronic spectra. ABSTRACT Using density functional theory, we identify the 30 low‐lying structures of the furfural‐acetone‐furfural adduct, a valuable biofuel precursor.
Neyla Cherif Benmoussa, Silvia Alessandrini, Laurens de Boer, Sihem Azizi, Hela Friha, Redouane Bachir, Majdi Hochlaf, Cristina Puzzarini, Roberto Linguerri   +8 more
wiley   +1 more source

Tunable vacuum-field control of fractional and integer quantum Hall phases. [PDF]

Nature
Enkner J, Graziotto L, Boriçi D, Appugliese F, Reichl C, Scalari G, Regnault N, Wegscheider W, Ciuti C, Faist J.   +9 more
europepmc   +1 more source

On the possibility of carbon-free heteropolymers on Venus: a computational astrobiology study. [PDF]

QRB Discov
Madan I, Arabi Aliabadi S, Huhtasaari J, Matic E, Hogedal E, Kamińska K, Nilsson F, Stark A, Izquierdo-Ruiz F, Sandström H, Rahm M.   +10 more
europepmc   +1 more source

Hybrid Boson Sampling. [PDF]

Entropy (Basel)
Kocharovsky V.
europepmc   +1 more source

On the geometry of topological defects in glasses. [PDF]

Nat Commun
Wu ZW, Barrat JL, Kob W.
europepmc   +1 more source

Understanding the Chemical and Electronic Properties of Sub‐Monolayer TiO2 on High Surface Area Silica for Jet Fuel Synthesis Applications

Advanced Functional Materials, Volume 36, Issue 1, 2 January 2026.
Sub‐monolayer titania grafted onto mesoporous silica enables solvent‐free photocatalytic upgrading of furfural and cyclopentanone into jet fuel precursors. Advanced spectroscopic methods reveal tunable surface speciation, acidity, and bandgaps, enhancing catalytic efficiency.
Mark A. Isaacs, Charalampos Drivas, Arthur Graf, Sasha Kroon, Santosh Kumar, Junxi Liu, Antonio Torres‐Lopez, Cameron Price, Edward Garland, Ines Lezcano‐Gonzalez, Christopher. M. A. Parlett, Vannia C. dos Santos‐Durndell, Lee J. Durndell   +12 more
wiley   +1 more source

Preserving the Josephson Coupling of Twisted Cuprate Junctions via Tailored Silicon Nitride Circuits Boards. [PDF]

Small
Confalone T, Lo Sardo F, Montemurro D, Massarotti D, Vinokur VM, Gu G, Tafuri F, Nielsch K, Haider G, Poccia N.   +9 more
europepmc   +1 more source

An Ultrapotent, Ultraeconomical, Antifreeze Polypeptide

Advanced Materials, Volume 38, Issue 4, 16 January 2026.
Simple and inexpensive polypeptides composed of random copolymers of alanine and glutamic acid are effective antifreezes for applications in foods and biomedicine. The polypeptides, inspired by natural extremophile proteins, inhibit the growth of large ice crystals and prevent damage to sensitive biologics.
Thomas J. McPartlon, Charles T. Osborne, Ke Wang, Rachel E. Detwiler, Konrad Meister, Jessica R. Kramer   +5 more
wiley   +1 more source

Interplay of Electronic Orders in Topological Quantum Materials. [PDF]

ACS Mater Au
Gruber CS, Abdel-Hafiez M.
europepmc   +1 more source

Reassessing Electrolyte Design for Non‐Aqueous Magnesium Batteries: Atomistic Structures and Performance Optimization

Advanced Materials, Volume 38, Issue 5, 22 January 2026.
This review systematically examines recent advances in non‐aqueous electrolytes for rechargeable magnesium batteries, focusing on chlorine‐containing and chlorine‐free systems. It highlights the interdependent relationship between electrolyte compositions, atomistic structures, and electrochemical performance.
Hao Xu, Xiaoqian He, Yue Li, Quanquan Guo, Xinyu Sun, Xinlong Xie, Lingyue Liu, Richard M. Laine, Jianxin Zou, Xinliang Feng, Minghao Yu   +10 more
wiley   +1 more source