Results 191 to 200 of about 1,194,003 (337)

Halogen bonding effects on the outcome of reactions at metal centres

, 2019
Lucas Carreras, Jordi Benet‐Buchholz, Antonio Franconetti, Antonio Frontera, Piet W. N. M. van Leeuwen, Anton Vidal‐Ferran   +5 more
openalex   +2 more sources

Unsupervised Hierarchical Symbolic Regression for Interpretable Property Modeling in Complex Multi‐Variable Systems

Advanced Science, EarlyView.
UHSR translates complex chemical behavior into clear and explainable equations. Applied to thin‐layer chromatography, it automatically uncovers the mathematical rules linking a molecule's structure to its polarity. This approach matches the accuracy of advanced AI while providing interpretable results, earning greater trust from chemists. The method is
Siyu Lou, Chengchun Liu, Dongxiao Zhang, Yuntian Chen, Fanyang Mo   +4 more
wiley   +1 more source

Elucidation of Organohalogenochromism (OHC) of D-A Pyridinium and D-π-A Pyridinium Dyes: Effect of Halogen Bond. [PDF]

Chem Asian J
Kozuka K, Imato K, Ooyama Y.
europepmc   +1 more source

Cover Feature: Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms (Chem. Eur. J. 61/2017) [PDF]

, 2017
Korey P. Carter, Mark Kalaj, Robert G. Surbella, Lucas C. Ducati, Jochen Autschbach, Christopher L. Cahill   +5 more
openalex   +1 more source

Regioisomeric Effects on Enhancing p‐Type Characteristics of Self‐Assembled Molecules in Inverted Perovskite Solar Cells

Advanced Science, EarlyView.
Regioisomeric effects are a critical design parameter in self‐assembled monolyaer (SAM) engineering, underscoring their importance for optimizing buried interface properties and advancing the performance and stability of inverted perovskite solar cells.
Myeong‐Ho Hong, Sanwan Liu, Seong Chan Cho, Seung‐Joo Chang, Sang Uck Lee, Nam‐Gyu Park   +5 more
wiley   +1 more source

Halogen bond-modulated solid-state reordering and symmetry breaking of azahelicenes. [PDF]

Nat Commun
Liang J, Gan F, Zhang G, Shen C, Qiu H.
europepmc   +1 more source

The Influence of Secondary Interactions on the [N-I-N]⁺ Halogen Bond. [PDF]

Chemistry, 2021
Lindblad S, Boróka Németh F, Földes T, von der Heiden D, Vang HG, Driscoll ZL, Gonnering ER, Pápai I, Bowling N, Erdelyi M.   +9 more
europepmc   +1 more source

High‐Conductivity Electrolytes Screened Using Fragment‐ and Composition‐Aware Deep Learning

Advanced Science, EarlyView.
We present a new deep learning framework that hierarchically links molecular and functional unit attributions to predict electrolyte conductivity. By integrating molecular composition, ratios, and physicochemical descriptors, it achieves accurate, interpretable predictions and large‐scale virtual screening, offering chemically meaningful insights for ...
Xiangwen Wang, Muyang Chen, Gengyi Bao, Yan Lai, Jinghe Cao, Xinhua Liu, Rui Tan   +6 more
wiley   +1 more source

Evaluation of Azobenzene Ethers Carrying a Perhalogenated Moiety as Halogen Bond Donors by Cocrystallization with Nitrogen-Containing Acceptors. [PDF]

Cryst Growth Des
Kučas F, Posavec L, Bedeković N, Nemec V, Cinčić D.   +4 more
europepmc   +1 more source

Halogen bond-assisted self-assembly of gold nanoparticles in solution and on a planar surface

, 2019
Kavitha Buntara Sanjeeva, Claudia Pigliacelli, Lara Gazzera, Valentina Dichiarante, Francesca Baldelli Bombelli, Pierangelo Metrangolo   +5 more
openalex   +2 more sources