Using DFT calculations to understand the unique photoreactivity of corannulene azide

被引:0
|
作者
Gudmundsdottir, Anna [1 ]
Chakraborty, Mrinal [1 ]
机构
[1] Univ Cincinnati, Chem, Cincinnati, OH USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
155
引用
收藏
页数:1
相关论文
共 50 条
  • [1] Computational study of the gas phase reaction of hydrogen azide and corannulene: A DFT study
    Reisi-Vanani, Adel
    Rahimi, Somayeh
    Kokhdan, Syamak Nasiri
    Ebrahimpour-Komleh, Hossein
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2015, 1070 : 94 - 101
  • [2] Terpyridine Zn(II) azide compounds: Spectroscopic and DFT calculations
    Mansour, Ahmed M.
    JOURNAL OF MOLECULAR STRUCTURE, 2021, 1242
  • [3] DFT calculations to understand prospective methods for atomic layer deposition of copper
    Dey, Gangotri
    Elliott, Simon D.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [4] Application of SQMFF vibrational calculations to transition states:: DFT and ab initio study of the kinetics of methyl azide and ethyl azide thermolysis
    Arenas, JF
    Otero, JC
    Sánchez-Gálvez, A
    Soto, J
    Viruela, P
    JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (07): : 1146 - 1151
  • [5] Synthesis, spectroscopic characterization and DFT calculations on [4-(sulfonylazide)phenyl]-1-azide
    Teimouri, Abbas
    Chermahini, Alireza Najafi
    Emami, Mohammad
    ARKIVOC, 2008, : 172 - 187
  • [6] AN APPROACH TO DFT CALCULATIONS USING STANDARD MICROPROCESSORS
    RAYFIELD, JT
    SILVERMAN, HF
    IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1985, 29 (02) : 170 - 176
  • [7] Rational catalyst design using DFT calculations
    Hu, Peijun
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 248
  • [8] Synthesis, structures and DFT calculations on alkaline-earth metal azide-crown ether complexes
    Brown, Michael D.
    Davis, Martin F.
    Dyke, John M.
    Ferrante, Francesco
    Levason, William
    Ogden, J. Steven
    Webster, Michael
    CHEMISTRY-A EUROPEAN JOURNAL, 2008, 14 (08) : 2615 - 2624
  • [9] Tuning excited state of bipyridyl platinum(II) complexes with bio-active flavonolate ligand: Structures, photoreactivity, and DFT calculations
    Han, Xiaozhen
    Sahihi, Mehdi
    Whitfield, Sarah
    Jimenez, Ivan
    INORGANICA CHIMICA ACTA, 2020, 513
  • [10] Characteristics of new pyrrolic derivatives and their oligomers using DFT and TD–DFT calculations
    Mourad Zouaoui-Rabah
    Lahcène Bekri
    Madani Hedidi
    Abdelkader M. Elhorri
    Yemouna Madaoui
    Journal of Molecular Modeling, 2023, 29