ABINITIO STUDY OF PHOTODISSOCIATION OF AMMONIA

被引:134
作者
RUNAU, R
PEYERIMHOFF, SD
BUENKER, RJ
机构
[1] UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
[2] UNIV BONN,INST PHYS CHEM,D-5300 BONN 1,FED REP GER
关键词
D O I
10.1016/0022-2852(77)90440-4
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
收藏
页码:253 / 268
页数:16
相关论文
共 45 条
[1]  
AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638
[2]  
BECKER KH, 1963, Z NATURFORSCH PT A, VA 18, P600
[3]  
BECKER KH, 1964, Z NATURFORSCH A, V19, P1006
[4]  
BECKER KH, 1962, Z NATURFORSCH A, V17, P676
[5]   VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA [J].
BENEDICT, WS ;
PLYLER, EK .
CANADIAN JOURNAL OF PHYSICS, 1957, 35 (10) :1235-1241
[6]  
Bonhoeffer KF, 1928, Z PHYS CHEM-STOCH VE, V134, P337
[7]   The ionization potentials of ammonia and ammonia-d(3). Measured by photoelectron spectroscopy, and an indo calculation of these values [J].
Branton, G. R. ;
Frost, D. C. ;
Herring, F. G. ;
McDowell, C. A. ;
Stenhouse, L. A. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (08) :581-584
[8]   ABINITIO STUDY OF STRUCTURE, ISOMERS AND VERTICAL ELECTRONIC-SPECTRUM OF FORMYL RADICAL HCO [J].
BRUNA, PJ ;
BUENKER, RJ ;
PEYERIMHOFF, SD .
JOURNAL OF MOLECULAR STRUCTURE, 1976, 32 (02) :217-233
[9]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[10]   MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY [J].
BUENKER, RJ ;
PEYERIMH.SD .
CHEMICAL REVIEWS, 1974, 74 (02) :127-188