NONEMPIRICAL CALCULATIONS OF ISOTROPIC HYPERFINE SPLITTING CONSTANTS OF 13C 14N AND 17O IN SIMPLE RADICALS

被引:21
作者
CHUNG, ALH
机构
关键词
D O I
10.1063/1.1841185
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:3144 / &
相关论文
共 16 条
[1]   STUDY OF APPROXIMATE WAVEFUNCTIONS USING WEIGHTING OPERATORS [J].
CHEN, JCY .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10P1) :3673-&
[2]   EXTENDED HARTREE-FOCK WAVENFUNCTIONS - OPTIMIZED VALENCE CONFIGURATIONS FOR H2 AND LI2 OPTIMIZED DOUBLE CONFIGURATIONS FOR F2 [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :87-&
[3]   ISOTROPIC PROTON HYPERFINE INTERACTION IN THE METHYL RADICAL [J].
HIGUCHI, J ;
AONO, S .
JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (01) :52-55
[4]   THEORETICAL INTERPRETATION OF CARBON-13 HYPERFINE INTERACTIONS IN ELECTRON SPIN RESONANCE SPECTRA [J].
KARPLUS, M ;
FRAENKEL, GK .
JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (04) :1312-&
[5]   HFS CONSTANTS OF OH GROUND STATE [J].
KAYAMA, K .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1507-&
[6]   THEORY OF ISOTROPIC HYPERFINE INTERACTIONS IN PI-ELECTRON RADICALS [J].
MCCONNELL, HM ;
CHESNUT, DB .
JOURNAL OF CHEMICAL PHYSICS, 1958, 28 (01) :107-117
[7]   SPIN POLARIZATION EFFECTS IN PARAMAGNETIC MOLECULES CALCULATIONS ON THE NH2 RADICAL [J].
MCWEENY, R ;
SUTCLIFFE, BT .
MOLECULAR PHYSICS, 1963, 6 (05) :493-502
[8]   1-CENTER BASIS SET SCF MOS .3. H20, H2S, + HCL [J].
MOCCIA, R .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) :2186-&
[9]   1-CENTER BASIS SET SCF MOS .2. NH3, NH4PLUS, PH3, PH4PLUS [J].
MOCCIA, R .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) :2176-&
[10]   1-CENTER BASIS SET SCF MOS .I. HF, CH4, + SIH4 [J].
MOCCIA, R .
JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) :2164-&