Results 181 to 190 of about 134,654 (299)

Stereochemistry and chiroptic properties of pheophorbides and related compounds [PDF]

, 1973
Scheer, Hugo, Wolf, H.
core   +1 more source

Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion

Advanced Intelligent Discovery, EarlyView.
This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley   +1 more source

Substituent effect in determining the total structure of an all-alkynyl-protected Ag₉₈ nanocluster for methanol tolerant oxygen reduction reaction. [PDF]

Chem Sci
Cui X, Zhang X, Li T, Zhu S, Han G, Li H.   +5 more
europepmc   +1 more source

Substituent Effect on the Formation of Arylindanes by Dimerization of Ferulic Acid and its Related Compounds. [PDF]

ACS Omega, 2018
Nomura E, Noda T, Gomi D, Mori H.
europepmc   +1 more source

Accelerating Discovery of Organic Molecular Crystals via Materials Informatics and Autonomous Experiments

Advanced Intelligent Discovery, EarlyView.
Materials informatics and autonomous experimentation are transforming the discovery of organic molecular crystals. This review presents an integrated molecule–crystal–function–optimization workflow combining machine learning, crystal structure prediction, and Bayesian optimization with robotic platforms.
Takuya Taniguchi, Kazuki Ishizaki, Ryo Fukasawa   +2 more
wiley   +1 more source

A G2(MP2) theoretical study of substituent effects on H3BNHnCl3−n (n= 3-0) donor-acceptor complexes

Open Chemistry, 2008
Anane Hafid, Houssame Soufiane, Guerraze Abdelali, Guermoune Abdeladim, Boutalib Abderrahim, Jarid Abedellah, Nebot-Gil Ignacio, Tomás Francisco   +7 more
doaj   +1 more source

Machine Learning Accelerates Crystallization for Structure Determination

Angewandte Chemie, EarlyView.
Single‐crystal x‐ray diffraction (SCXRD) is often constrained by the difficulty of obtaining suitable crystals. Here, a machine learning‐accelerated co‐crystal discovery workflow is established for a crystalline mate strategy that achieves over 95% prediction accuracy and experimentally delivers 114 co‐crystals from 120 candidates.
Cui‐Zhou Luan, Xue‐Zhi Wang, Jian‐Guo Song, Yu Gu, Jing Wu, Ye‐Ting Wang, Jin‐Feng Liang, Jia‐Le Rao, Mo Xie, Jonathan R. Nitschke, Dan Li   +10 more
wiley   +1 more source

Azetidinylideneketenimines as a Multimodal Synthetic Platform: Coordination Chemistry and Cycloaddition‐Triggered Transformations

Angewandte Chemie, EarlyView.
Cross‐coupling/homologation sequence between a stable three‐membered‐ring carbene and isocyanides enables facile and rapid access to novel methyleneketenimines and the first bis(methyleneketenimine). Reactivity studies gave rise to the first methyleneketenimine‐transition metal complexes, unique multimodal reactivity ranging from CO2, isocyanate ...
Taichi Koike, Keisuke Ito, Shintaro Ishida, Takeaki Iwamoto   +3 more
wiley   +1 more source

Investigation of Substituent Effect in Modified Nature-Sourced Polymers: Rational Side Chain Engineering to Control Yield, Design, and Properties. [PDF]

ACS Omega, 2018
Rutenberg R, Golden G, Cohen Y, Kleiman M, Poverenov E.   +4 more
europepmc   +1 more source

Deprotonative C(sp3)/C(sp2)–H (Multi)Silylation of (Hetero)Arenes Mediated by NaTMP

Angewandte Chemie, EarlyView.
An operationally simple protocol using a strongly basic sodium amide in combination with sterically emcumbered silicon electrophiles enables the deprotonative C–H (multi)silylation of a myriad of (hetero)arenes. Mechanistic investigations highlight the pivotal role of steric and coordination effects in controlling the regioselectivity and efficiency of
David Sánchez‐Roa, Sophia Belrhomari, Ana McGinley, Clevin Anto Liju, Manting Mu, Max García‐Melchor, Eva Hevia   +6 more
wiley   +1 more source