Confab - Systematic generation of diverse low-energy conformers

被引:0
|
作者
Noel M O'Boyle
Tim Vandermeersch
Christopher J Flynn
Anita R Maguire
Geoffrey R Hutchison
机构
[1] University College Cork,Analytical and Biological Chemistry Research Facility
[2] Open Babel development team,Department of Chemistry
[3] University of Pittsburgh,undefined
[4] Chevron Science Center,undefined
关键词
Torsion Angle; Conformational Space; Rotatable Bond; Methylene Carbon; Linear Feedback Shift Register;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [21] Low-Energy Electron Attachment to Serine Conformers: Shape Resonances and Dissociation Dynamics
    Wang, Yongfeng
    Tian, Shan Xi
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 30 (02) : 173 - 185
  • [22] Low-energy conformers of pamidronate and their intramolecular hydrogen bonds: a DFT and QTAIM study
    Masoud Arabieh
    Mohammad Hossein Karimi-Jafari
    Mohammad Ghannadi-Maragheh
    Journal of Molecular Modeling, 2013, 19 : 427 - 438
  • [23] Generation of intense low-energy molecular beams
    Makarov, GN
    CHEMICAL PHYSICS LETTERS, 2002, 366 (5-6) : 490 - 495
  • [24] ADSORPTIVE GENERATION OF LOW-ENERGY FLUOROCARBON SUBSTRATES
    SHIRLEY, FP
    WADE, WH
    JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1972, 38 (01) : 205 - &
  • [25] Low-energy electron elastic scattering of 4 anions: C - Resonance states and conformers
    Li, Jiong -Yuan
    Meng, Ju
    Wang, Ke-Dong
    ACTA PHYSICA SINICA, 2024, 73 (24)
  • [26] Systematic examination of energy performance gap in low-energy buildings
    Bai, Yefei
    Yu, Cong
    Pan, Wei
    RENEWABLE & SUSTAINABLE ENERGY REVIEWS, 2024, 202
  • [27] Theoretical study on the low-energy and high-energy conformers of the three isomers of 1,4-difluorobutadiene
    Hu, HR
    Tian, AM
    Wong, NB
    Li, WK
    JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (45): : 10372 - 10378
  • [28] Generation of low-energy neutral beam for Si etching
    Kim, SJ
    Wang, SJ
    Lee, JK
    Lee, DH
    Yeom, GY
    JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A, 2004, 22 (05): : 1948 - 1955
  • [29] Generation Mechanisms for Low-energy Interstellar Pickup Ions
    Zhao, L. -L.
    Zank, G. P.
    Adhikari, L.
    ASTROPHYSICAL JOURNAL, 2019, 879 (01):
  • [30] Low-energy neutron sensitivity of recent generation SRAMs
    Armani, JM
    Simon, G
    Poirot, P
    IEEE TRANSACTIONS ON NUCLEAR SCIENCE, 2004, 51 (05) : 2811 - 2816