A STUDY OF THE GROUND ELECTRONIC STATE OF HYDROGEN-PEROXIDE

被引:61
作者
WILLETTS, A [1 ]
GAW, JF [1 ]
HANDY, NC [1 ]
CARTER, S [1 ]
机构
[1] UNIV READING,DEPT CHEM,READING RG6 2AD,BERKS,ENGLAND
关键词
D O I
10.1016/0022-2852(89)90163-X
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:370 / 388
页数:19
相关论文
共 47 条
[1]  
AMOS RD, 1987, UNPUB CADPAC CAMBRID
[2]   HYDROGEN PEROXIDE AND ITS ANALOGUES .6. INFRARED SPECTRA OF H2O2, D2O2, AND HDO2 [J].
BAIN, O ;
GIGUERE, PA .
CANADIAN JOURNAL OF CHEMISTRY, 1955, 33 (03) :527-545
[3]   ABINITIO STUDIES OF THE STRUCTURES OF PEROXIDES AND PEROXY-RADICALS [J].
BAIR, RA ;
GODDARD, WA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2719-2724
[4]   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
[5]  
BENT HA, 1960, J CHEM PHYS, V33, P1259, DOI 10.1063/1.1731374
[6]   THEORETICAL-ANALYSIS OF EQUILIBRIUM GEOMETRIES AND BARRIERS OF ROTATION IN MOLECULES H2O, H25, H25E, H2TE [J].
BLOCK, R ;
JANSEN, L .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (07) :3322-3328
[7]   FORCE CONSTANTS AND EQUILIBRIUM GEOMETRIES IN H2O2 AND OTHER SMALL MOLECULES CONTAINING AN OH GROUP [J].
BOTSCHWINA, P ;
MEYER, W ;
SEMKOW, AM .
CHEMICAL PHYSICS, 1976, 15 (01) :25-34
[8]   EXACT VIBRATIONAL ENERGIES OF NON-ROTATING H2O AND D2O USING AN ACCURATE ABINITIO POTENTIAL [J].
BOWMAN, JM ;
WIERZBICKI, A ;
ZUNIGA, J .
CHEMICAL PHYSICS LETTERS, 1988, 150 (3-4) :269-274
[9]   A VARIATIONAL METHOD FOR THE CALCULATION OF VIBRATIONAL LEVELS OF ANY TRIATOMIC MOLECULE [J].
CARTER, S ;
HANDY, NC .
MOLECULAR PHYSICS, 1982, 47 (06) :1445-1455
[10]   THEORETICAL DETERMINATION OF MOLECULAR-STRUCTURE AND CONFORMATION .1. ROLE OF BASIS SET AND CORRELATION EFFECTS IN CALCULATIONS ON HYDROGEN-PEROXIDE [J].
CREMER, D .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (10) :4440-4445