AB-INITIO MO LCAO UHF CALCULATIONS OF MAGNETIC HYPERFINE INTERACTIONS IN SIGMA-RADICALS ISOTROPIC AND ANISOTROPIC COUPLINGS OF NO2 AND CO2-

被引：16

作者：

ALMLOF, J

LUND, A

THUOMAS, KA

机构：

[1] UNIV STOCKHOLM,INST THEORET PHYS,STOCKHOLM,SWEDEN

[2] SWEDISH RES COUNCILS LAB,NYKOPING,SWEDEN

[3] AB ATOMENERGI,NYKOPING,SWEDEN

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 28卷 / 02期

关键词：

D O I：

10.1016/0009-2614(74)80046-1

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

页码：179 / 181

页数：3

共 20 条

[1] AB-INITIO MO LCAO UHF CALCULATIONS OF MAGNETIC HYPERFINE INTERACTIONS IN PI-RADICALS - ISOTROPIC AND ANISOTROPIC COUPLINGS OF-CH3,-NH3(+),-C2H5 AND-N2H4(+)
ALMLOF, J
LUND, A
THUOMAS, KA
CHEMICAL PHYSICS, 1975, 7 (03) : 465 - 472
[2] AB-INITIO MO LCAO UHF CALCULATIONS OF MAGNETIC HYPERFINE INTERACTIONS IN NO3 AND NO-3(2-) HYPERFINE AND QUADRUPOLE COUPLINGS FROM ENDOR DATA FOR NO-3(2-)
LUND, A
THUOMAS, KA
CHEMICAL PHYSICS LETTERS, 1976, 44 (03) : 569 - 573
[3] CALIBRATION OF ANGULAR FUNCTIONS OF THE BETA-FLUORINE ISOTROPIC HYPERFINE INTERACTION BASED ON THE AB-INITIO LCAO-MO UHF SCF CALCULATIONS OF BETA-FLUORINATED ETHYL RADICALS
POLENOV, EA
BOZHENKO, KV
BUGAENKO, VL
JOURNAL OF STRUCTURAL CHEMISTRY, 1993, 34 (04) : 505 - 508
[4] DIPOLE-MOMENT AND HYPERFINE CONSTANTS OF OD A-2-SIGMA+ FROM AB-INITIO CALCULATIONS
GREEN, S
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10): : 4327 - 4330
[5] THE FRAGMENTATION OF SH(A(2)SIGMA(+)) - AB-INITIO CALCULATIONS OF SPIN-ORBIT AND CORIOLIS INTERACTIONS
MANAA, MR
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1995, : 577 - 584
[6] STRUCTURAL, MAGNETIC AND HYPERFINE PROPERTIES OF THE FERRITE MgFe2O4: AN AB-INITIO CALCULATIONS
Medina Chanduvi, H. H.
Gil Rebaza, A., V
Errico, L. A.
ANALES AFA, 2021, 31 (04): : 121 - 126
[7] INTERACTIONS OF IONS AB-INITIO SCF-MO-LCAO CALCULATIONS OF LI+-H2O-OH- WITH A MINIMAL GAUSSIAN BASIS SET
URBAN, M
PAVLIK, S
KELLO, V
MARDIAKOVA, J
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1975, 40 (03) : 587 - 596
[8] FRAGMENT INTERACTION ANALYSIS IN THE FRAMEWORK OF AB-INITIO UHF MO COMPUTATIONS .2. CONFORMATIONAL PREFERENCES IN SUBSTITUTED ETHYL RADICALS
BERNARDI, F
BOTTONI, A
FOSSEY, J
SORBA, J
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1985, 20 (3-4): : 231 - 239
[9] LCAO MO CALCULATIONS ON MOLECULAR-STRUCTURES .9. AB-INITIO CALCULATIONS ON INTERACTION OF OXYGEN CONTAINING LIGANDS WITH ALKALI CATIONS - SYSTEM H2CO-LI+
RUSSEGGER, P
SCHUSTER, P
CHEMICAL PHYSICS LETTERS, 1973, 19 (02) : 254 - 259
[10] Ab-initio calculations of the electronic and magnetic structures of Co2Cr1-xMnxSi alloys
Abu Alhaj, B.
Hamad, B.
Khalifeh, J.
Shaltaf, R.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2013, 336 : 37 - 43

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