نتایج جستجو برای: structural chemistry

تعداد نتایج: 496764  

Journal: :Accounts of Chemical Research 2011

Journal: :Acta Crystallographica Section A Foundations and Advances 2017

Journal: :Acta Crystallographica Section A Foundations of Crystallography 2005

Hamideh Shahzad

In this paper, the quantum chemistry calculations related to the structural parameter of the three anions and the resulting complexes with glycine and alanine have been performed. The calculations were carried out using the HF and DFT method and in the base series 6-31G *. Natural Transplantation Orbital (NBO), hybrid capacity for bindings and is obtained. The ratio of the internal electrons, V...

2000
Q. Zhang Q. Lin L. F. Wang L. J. Mu X. Y. Huang

College of Science and Engineering, Hainan University, Hainan 570228, P. R. China State Key Laboratory Applied Organic Chemistry, Lanzhou University, Lanzhou 730000, P. R. China Department of Chemistry, Nankai University, Tianjin 300071, P. R. China State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure Matter, Chinese Academy of Science, Fuzhou Fujian 35000...

2017
Igor I. Slowing Juan Luis Vivero-escoto Brian G. Trewyn Victor S.Y. Lin Juan L. Vivero-Escoto Victor S.-Y. Lin

The structural properties of mesoporous silica nanoparticles are reviewed. Different strategies for the introduction of functional groups are considered. Based on the architectural features of the material, the functionalization at defined regions of the particles is described, along with the properties emerging from the corresponding site-specific modifications of their chemistry. Many applica...

2015
Shijie Ye Bernhard Loll Allison Ann Berger Ulrike Mülow Claudia Alings Markus Christian Wahl Beate Koksch

Shijie Ye1, Bernhard Loll2, Allison Ann Berger1, Ulrike Mülow1, Claudia Alings2, Markus Christian Wahl2 and Beate Koksch1* Department of Biology, Chemistry, and Pharmacy, Freie Universität Berlin, 1. Institute of Chemistry and Biochemistry – Organic Chemistry, Takustrasse 3, 2. Institute of Chemistry and Biochemistry – Structural Biochemistry, Takustrasse 6, D-14195, Berlin, Germany *Correspond...

2017
Victor Goncalves James A. Brannigan Alice Laporte Andrew S. Bell Shirley M. Roberts Anthony J. Wilkinson Robin J. Leatherbarrow Edward W. Tate

a Department of Chemistry, Imperial College London, London SW7 2AZ, United Kingdom b Structural Biology Laboratory, Department of Chemistry, University of York, York YO10 5DD, United Kingdom *E-mail: [email protected] *E-mail: [email protected] †Electronic Supplementary Information (ESI) available: Synthesis details and structural characterization of compounds, X-ray data coll...

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