Ab-initio and DFT Study of the Molecular Mechanisms of SO3 and SOCl2 Reactions with Water in the Gas Phase

被引：0
|
作者：
Alfred Wegener Inst. Polar-/Mar. R., Bremerhaven, Germany [1 ]
不详 [2 ]
不详 [3 ]
不详 [4 ]
机构：
来源：
| 1600年 / 3642-3649卷 / April 22, 2004期
关键词：
Theoretical; (THR); -; Experimental; (EXP);
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] Calculation of conductive polymer-based SO2 and SO3 gas sensor mechanisms by using the DFT method
    Hacer AZAK
    Resul GORGUL
    Burak TEKIN
    Murat YILDIZ
    Journal of Molecular Modeling, 2019, 25
  • [22] Calculation of conductive polymer-based SO2 and SO3 gas sensor mechanisms by using the DFT method
    Azak, Hacer
    Gorgul, Resul
    Tekin, Burak
    Yildiz, Murat
    JOURNAL OF MOLECULAR MODELING, 2019, 25 (12)
  • [23] Kinetics of the gas phase reactions of SO3 with H2O and NH3.
    Lovejoy, ER
    Hanson, DR
    Huey, LG
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 214 : 419 - PHYS
  • [24] REACTIONS OF CH3+ WITH 2ND-ROW ATOMS - AN AB-INITIO STUDY
    FLORES, JR
    BARRIENTOS, C
    LARGO, A
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (04): : 1090 - 1099
  • [25] Ab-initio molecular dynamic study of phase-D at mantle conditions
    Churakov, SV
    Schmidt, MW
    Parrinello, M
    LITHOS, 2004, 73 (1-2) : S18 - S18
  • [26] AB-INITIO MOLECULAR-DYNAMICS STUDY OF HYDROCHLORIC-ACID IN WATER
    LAASONEN, K
    KLEIN, ML
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (25) : 11620 - 11621
  • [27] Kinetics and products of the gas-phase reaction of SO3 with water
    Lovejoy, ER
    Hanson, DR
    Huey, LG
    JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (51): : 19911 - 19916
  • [28] DFT and ab-initio study of structure of 1,4-dichloro-2-nitrobenzene
    Kumar, J. Senthil
    Arivazhagan, M.
    INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 2011, 49 (10) : 673 - 678
  • [29] AB-INITIO MOLECULAR-ORBITAL STUDY OF THE CHEMICAL-REACTIONS OF DIBORANE WITH AMMONIA
    SAKAI, S
    JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (16): : 5883 - 5888
  • [30] AN AB-INITIO MOLECULAR-ORBITAL STUDY OF THE UNIMOLECULAR DISSOCIATION REACTIONS OF DICHLOROETHYLENE AND TRICHLOROETHYLENE
    RIEHL, JF
    MUSAEV, DG
    MOROKUMA, K
    JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (07): : 5942 - 5956
12345