Results 331 to 340 of about 6,185,645 (365)

The Role of the C–H···π Interactions in the Cyclisation Reactions Leading to New Aryl-Bridged Tetraazamacrocyclic Complexes of Copper and Nickel

, 2011
A series of neutral macrocyclic transition metal complexes of CuII and NiII, with bridging polyether linkers joining them to aromatic fragments, has been synthesised and their crystal and molecular structures have been established by single-crystal X-ray
R. Kamiński, J. Kowalski, I. Mames, B. Korybut-daszkiewicz, S. Domagala, K. Woźniak   +5 more
semanticscholar   +1 more source

Toward selection of efficient density functionals for van der Waals molecular complexes: comparative study of C-H···π and N-H···π interactions.

Journal of Physical Chemistry A, 2015
We have evaluated the performance of two of the recently developed density functionals (M06-2X and B2PLYP-D), which are widely used, by considering three important prototype systems, including benzene-acetylene, benzene-methane, and benzene-ammonia ...
G. Paytakov, T. Dinadayalane, J. Leszczynski   +2 more
semanticscholar   +1 more source

Three closely related 1-(naphthalen-2-yl)prop-2-en-1-ones: pseudosymmetry, disorder and supramoleular assembly mediated by C-H...π and C-Br...π interactions.

Acta Crystallographica Section C Structural Chemistry, 2017
It has been observed that when electron-rich naphthyl rings are present in chalcones they can participate in π-π stacking interactions, and this can play an important role in orientating inhibitors within the active sites of enzymes, while chalcones ...
M. Girisha, B. K. Sagar, H. Yathirajan, R. Rathore, C. Glidewell   +4 more
semanticscholar   +1 more source

Impact of C–H···X (X = F, N) and π–π Interactions on Tuning the Degree of Charge Transfer in F6TNAP-Based Organic Binary Compound Single Crystals

, 2018
Single crystals of four new charge transfer compounds, triphenylene (TP)-1,3,4,5,7,8-hexafluorotetracyanonaphthoquinodimethane (F6TNAP), pyrene-F6TNAP, phenanthrene (PA)-F6TNAP, and naphtho[1,2-b:5,6-b’]dithiophene (NDT)-F6TNAP, with needle-like ...
Peng Hu, Shancheng Wang, A. Chaturvedi, F. Wei, Xiaoting Zhu, Xiaotao Zhang, Rongjin Li, Yongxin Li, Hui Jiang, Y. Long, C. Kloc   +10 more
semanticscholar   +1 more source

Cl(−) Exchange SN2 Reaction inside Carbon Nanotubes: C–H···π and Cl···π Interactions Govern the Course of the Reaction

, 2014
The carbon nanotube (CNT)-confined chloride exchange SN2 reaction for methyl chloride has been examined using either a full quantum mechanical (QM) DFT approach based on the M06-2X functional or a hybrid approach where a (6,6) CNT is satisfactorily ...
Pietro Giacinto, A. Bottoni, M. Calvaresi, F. Zerbetto   +3 more
semanticscholar   +1 more source

Onconephrology: The intersections between the kidney and cancer

Ca-A Cancer Journal for Clinicians, 2021
Mitchell H Rosner, Kenar D Jhaveri, Mark A Perazella   +2 more
exaly  

Computational study on C−H…π interactions of acetylene with benzene, 1,3,5-trifluorobenzene and coronene

Journal of Molecular Modeling, 2013
T. Dinadayalane, G. Paytakov, J. Leszczynski   +2 more
semanticscholar   +1 more source

Interaction Region Indicator: A Simple Real Space Function Clearly Revealing Both Chemical Bonds and Weak Interactions**

Chemistry Methods, 2021
Tian Lu, Qinxue Chen
exaly  

Interactions of Metal Nanoclusters with Light: Fundamentals and Applications

Advanced Materials, 2022
Jianping Xie, Qiaofeng Yao, Tiankai Chen
exaly  

Probing and Manipulating Noncovalent Interactions in Functional Polymeric Systems

Chemical Reviews, 2022
Jingsi Chen, Hao Zhang, Hongbo Zeng
exaly