نتایج جستجو برای: intermolecular interactions

تعداد نتایج: 394616  

2016
Christopher H Woodall Gavin A Craig Alessandro Prescimone Martin Misek Joan Cano Juan Faus Michael R Probert Simon Parsons Stephen Moggach José Martínez-Lillo Mark Murrie Konstantin V Kamenev Euan K Brechin

Materials that demonstrate long-range magnetic order are synonymous with information storage and the electronics industry, with the phenomenon commonly associated with metals, metal alloys or metal oxides and sulfides. A lesser known family of magnetically ordered complexes are the monometallic compounds of highly anisotropic d-block transition metals; the 'transformation' from isolated zero-di...

2014
A. M. Sweetman S. P. Jarvis Hongqian Sang I. Lekkas P. Rahe Yu Wang Jianbo Wang N.R. Champness L. Kantorovich P. Moriarty

Hydrogen bonding underpins the properties of a vast array of systems spanning a wide variety of scientific fields. From the elegance of base pair interactions in DNA to the symmetry of extended supramolecular assemblies, hydrogen bonds play an essential role in directing intermolecular forces. Yet fundamental aspects of the hydrogen bond continue to be vigorously debated. Here we use dynamic fo...

Journal: :Physical chemistry chemical physics : PCCP 2014
Hitoshi Kusama Takashi Funaki Nagatoshi Koumura Kazuhiro Sayama

Intermolecular interactions in cyclometalated Ru complex dye (FT89) dimers, carbazole organic dye (MK-45 and MK-111) dimers, FT89-MK-45 complexes, and FT89-MK-111 complexes were investigated using density functional theory (DFT) and time-dependent DFT (TD-DFT) to elucidate the improvement mechanism of dye-sensitized solar cell (DSSC) performance due to cosensitization with FT89 and MK dyes. All...

Journal: :ACS nano 2013
Christopher M Hauke Ralf Bechstein Markus Kittelmann Christof Storz Andreas F M Kilbinger Philipp Rahe Angelika Kühnle

Molecular self-assembly on surfaces is dictated by the delicate balance between intermolecular and molecule-surface interactions. For many insulating surfaces, however, the molecule-surface interactions are weak and rather unspecific. Enhancing these interactions, on the other hand, often puts a severe limit on the achievable structural variety. To grasp the full potential of molecular self-ass...

2014
Kenji Hanabusa Masahiro Suzuki

In this review, the development of low-molecular-weight gelators and polymer-based gelators is described. The driving forces for physical gelation are non-covalent bonds, such as hydrogen bonds, electrostatic interactions, van der Waals interactions and p–p interactions. When gelation occurs, the gelator molecules self-assemble into macromolecule-like aggregates through non-covalent intermolecu...

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2005

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