Results 101 to 110 of about 166,291 (161)

A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives-Towards an Improved Ligand Design and Tryptophan Stacking. [PDF]

Pharmaceuticals (Basel), 2022
Van Lommel R, Bettens T, Barlow TMA, Bertouille J, Ballet S, De Proft F.   +5 more
europepmc   +1 more source

Intrinsic Dynamic and Static Nature of π···π Interactions in Fused Benzene-Type Helicenes and Dimers, Elucidated with QTAIM Dual Functional Analysis. [PDF]

Nanomaterials (Basel), 2022
Nishide T, Hayashi S.
europepmc   +1 more source

A Nanoporous Supramolecular Metal-Organic Framework Based on a Nucleotide: Interplay of the π···π Interactions Directing Assembly and Geometric Matching of Aromatic Tails. [PDF]

Molecules, 2021
Bruno R, Mastropietro TF, De Munno G, Armentano D.   +3 more
europepmc   +1 more source

Effect of π···π Interactions of Donor Rings on Persistent Room-Temperature Phosphorescence in D₄-A Conjugates and Data Security Application. [PDF]

ACS Omega, 2021
Bhatia H, Dey S, Ray D.
europepmc   +1 more source

Estudo teórico sobre o efeito de substituintes na interação cátion- em rutenofanos [PDF]

, 2013
Dissertação (mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas, Programa de Pós-Graduação em Química, Florianópolis, 2013Estudou-se, através de métodos de química teórica, o efeito do substituinte na interação ...
Garcia, Leone Carmo
core  

Development of temperature-responsive polymeric gels with physical crosslinking due to intermolecular 𝜋-𝜋 interactions. [PDF]

Polym Int, 2022
Shah RA, Runge T, Ostertag TW, Tang S, Dziubla TD, Hilt JZ.   +5 more
europepmc   +1 more source

Theoretical Studies on Several π Interactions [PDF]

, 2012
π相互作用在自组装、蛋白折叠、DNA碱基堆积、分子识别及晶体包装等诸多学科领域中起着非常重要的作用。其中，与生物蛋白体系相关的各种π相互作用，包括π-π、π-σ、π-阳离子和π-二硫键等，对蛋白结构的稳定、蛋白活性的发挥等具有极其重要的作用。目前无论是实验还是理论，对π相互作用的本质还没有统一的认识。本文将系统评测新近发展的密度泛函方法（XYG3、M06-2X、B97-D、BLYP-D3和ωB97XD）和常用的分子力场方法（AMBER、OPLS、MM3、DREIDING、UFF、和AMOEBA ...
周余伟
core  

Synergy of Electrostatic and π-π Interactions in the Realization of Nanoscale Artificial Photosynthetic Model Systems. [PDF]

Angew Chem Int Ed Engl, 2020
Anaya-Plaza E, Joseph J, Bauroth S, Wagner M, Dolle C, Sekita M, Gröhn F, Spiecker E, Clark T, de la Escosura A, Guldi DM, Torres T.   +11 more
europepmc   +1 more source

Making Sense of Heteroatom Effects in π-π Interactions. [PDF]

J Am Chem Soc
Do KU, Conner AV, Wheeler SE.
europepmc   +1 more source

Directed Dynamic Resolution of an Atropisomeric Silver Complex in Solution: Role of π-π Interactions. [PDF]

Inorg Chem
Polo A, Rodríguez R, Sanz Miguel PJ.
europepmc   +1 more source