New insight into the transport mechanism of hydrated hydroxide ions in water

被引:78
作者
Ludwig, R [1 ]
机构
[1] Univ Dortmund, Fachbereich Chem, D-44221 Dortmund, Germany
关键词
ab initio calculations; anions transport; mechanisms; water chemistry;
D O I
10.1002/anie.200390097
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:258 / 260
页数:3
相关论文
共 25 条
[1]   Mechanism of hydroxide mobility [J].
Agmon, N .
CHEMICAL PHYSICS LETTERS, 2000, 319 (3-4) :247-252
[2]  
Amo Y, 2000, J RAMAN SPECTROSC, V31, P547, DOI 10.1002/1097-4555(200007)31:7<547::AID-JRS564>3.0.CO
[3]  
2-4
[4]   Delocalization of protons in liquid water [J].
Bakker, HJ ;
Nienhuys, HK .
SCIENCE, 2002, 297 (5581) :587-590
[5]   A SIMPLE MEASURE OF ELECTRON LOCALIZATION IN ATOMIC AND MOLECULAR-SYSTEMS [J].
BECKE, AD ;
EDGECOMBE, KE .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (09) :5397-5403
[6]   Structural characterization of NaOH aqueous solution in the glass and liquid states [J].
Bruni, F ;
Ricci, MA ;
Soper, AK .
JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (18) :8056-8063
[7]   UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].
CAR, R ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474
[8]   Infrared spectra and isomeric structures of hydroxide ion-water clusters OH- (H2O)1-5:: a comparison with H3O+ (H2O)1-5 [J].
Chaudhuri, C ;
Wang, YS ;
Jiang, JC ;
Lee, YT ;
Chang, HC ;
Niedner-Schatteburg, G .
MOLECULAR PHYSICS, 2001, 99 (14) :1161-1173
[9]   First-principles study of aqueous hydroxide solutions [J].
Chen, B ;
Park, JM ;
Ivanov, I ;
Tabacchi, G ;
Klein, ML ;
Parrinello, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2002, 124 (29) :8534-8535