CALCULATION OF LI-7 QUADRUPOLE COUPLING-CONSTANTS WITH BASIS-SETS OF HIGH LOCAL QUALITY

被引：11

作者：

GERBER, S ^{[1
]}

HUBER, H ^{[1
]}

机构：

[1] INST PHYS CHEM,KLINGELBERGSTR 80,CH-4056 BASEL,SWITZERLAND

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1989年 / 93卷 / 02期

关键词：

D O I：

10.1021/j100339a012

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：545 / 549

页数：5

共 35 条

[1] INFRARED SPECTRUM, STRUCTURE, VIBRATIONAL POTENTIAL FUNCTION, AND BONDING IN LITHIUM SUPEROXIDE MOLECULE LIO2 [J].

ANDREWS, L .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (10) :4288-&

[2]

ANDREWS WLS, 1966, J CHEM PHYS, V44, P2361

[3]

ARMSTRONG DR, 1986, J MOL STRUC-THEOCHEM, V137, P235

[4] DIAMAGNETISM OF LINO, NANO AND KNO - STUDIES IN MAGNETOCHEMISTRY .19. [J].

ASMUSSEN, RW .

ACTA CHEMICA SCANDINAVICA, 1957, 11 (08) :1435-1436

[5]

Chase M.W., 1974, J PHYS CHEM REF DATA, V3, P311

[6] STRUCTURES OF THE CARBENOID CH2FLI - ABINITIO MO CALCULATIONS [J].

CLARK, T ;

SCHLEYER, PV .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1979, (20) :883-884

[7] STRUCTURES OF ALPHA-LITHIOMETHANOL AND ALPHA-LITHIOMETHYLAMINE - AN ABINITIO STUDY [J].

CLARK, T ;

SCHLEYER, PV ;

HOUK, KN ;

RONDAN, NG .

JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1981, (12) :579-581

[8] STABILIZATION OF PLANAR TETRACOORDINATE CARBON [J].

COLLINS, JB ;

DILL, JD ;

JEMMIS, ED ;

APELOIG, Y ;

SCHLEYER, PV ;

SEEGER, R ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (18) :5419-5427

[9] TOWARDS AN ACCURATE DETERMINATION OF THE NUCLEAR-QUADRUPOLE MOMENT OF LI FROM MOLECULAR DATA-LIF [J].

DIERCKSEN, GHF ;

SADLEJ, AJ ;

SUNDHOLM, D ;

PYYKKO, P .

CHEMICAL PHYSICS LETTERS, 1988, 143 (02) :163-168

[10] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2823-+

← 1 2 3 4 →