THEORETICAL-STUDIES OF THE OZONE MOLECULE .1. ABINITIO MCSCF-CL POTENTIAL-ENERGY SURFACES FOR THE X1A1 AND A 3B2 STATES

被引:63
作者
WILSON, CW
HOPPER, DG
机构
[1] WRIGHT STATE UNIV,BREHM LAB,DAYTON,OH 45435
[2] SCI APPLICAT INC,DIV SPECIAL PROJECTS,LA JOLLA,CA 92037
[3] ARGONNE NATL LAB,DIV CHEM,ARGONNE,IL 60439
[4] SCI APPLICAT INC,DIV THEORET CHEM,LA JOLLA,CA 92037
关键词
D O I
10.1063/1.440815
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:595 / 607
页数:13
相关论文
共 55 条
[1]  
ALLEN LC, 1966, QUANTUM THEORY ATOMS, P74
[2]  
ASUNDI RK, 1968, CURR SCI INDIA, V37, P160
[3]   SATELLITE BANDS AND VALENCE IONIC STATES OF OZONE [J].
BASCH, H .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (21) :6047-6051
[4]   NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE [J].
BENDER, CF ;
DAVIDSON, ER .
JOURNAL OF PHYSICAL CHEMISTRY, 1966, 70 (08) :2675-&
[5]   CORRELATION ENERGY AND MOLECULAR PROPERTIES OF HYDROGEN FLUORIDE [J].
BENDER, CF ;
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :360-&
[6]   KINETICS OF OZONE FORMATION IN PULSE-RADIOLYSIS OF OXYGEN GAS [J].
BEVAN, PLT ;
JOHNSON, GRA .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS I, 1973, 69 (01) :216-227
[7]   AB-INITIO STUDIES OF INTEROXYGEN BONDING IN O2, HO2, H2O2, O3, HO3, AND H2O3 [J].
BLINT, RJ ;
NEWTON, MD .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6220-6228
[8]   THEORETICAL EVIDENCE FOR METASTABLE CYCLIC OZONE [J].
BURTON, PG ;
HARVEY, MD .
NATURE, 1977, 266 (5605) :826-827
[9]  
BURTON PG, 1977, INT J QUANTUM CHEM Q, V11, P207
[10]   AB-INITIO SCF-MO-CI CALCULATIONS FOR H-, H2, AND H3+ USING GAUSSIAN BASIS SETS [J].
CSIZMADIA, IG ;
KARI, RE ;
POLANYI, JC ;
ROACH, AC ;
ROBB, MA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12) :6205-+