GEOMETRY, BONDING, AND OPTICAL AND MAGNETIC-PROPERTIES OF CU(CO)3 - A THEORETICAL-STUDY

被引：8

作者：

ARRATIA-PEREZ, R ^{[1
]}

AXE, FU ^{[1
]}

MARYNICK, DS ^{[1
]}

机构：

[1] UNIV TEXAS, DEPT CHEM, ARLINGTON, TX 76019 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1987年 / 91卷 / 20期

关键词：

D O I：

10.1021/j100304a011

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：5177 / 5183

页数：7

共 53 条

[11] CALCULATION OF ONE-ELECTRON PROPERTIES FROM X-ALPHA MULTIPLE-SCATTERING WAVEFUNCTIONS [J].

CASE, DA ;

KARPLUS, M .

CHEMICAL PHYSICS LETTERS, 1976, 39 (01) :33-38

[12] RELATIVISTIC EFFECTS ON MOLECULAR HYPERFINE INTERACTIONS - APPLICATION TO YTTERBIUM FLUORIDES [J].

CASE, DA ;

LOPEZ, JP .

JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (07) :3270-3277

[13] SPIN-ORBIT AND SPIN-POLARIZATION EFFECTS IN NEPTUNIUM HEXAFLUORIDE [J].

CASE, DA .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (11) :5792-5796

[14] ELECTRONIC-STRUCTURE CALCULATIONS USING THE X-ALPHA METHOD [J].

CASE, DA .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1982, 33 :151-171

[15]

CASE DA, 1986, ACS SYM SER, V321, P59

[16] CHEMISORPTION OF CO ON CO(0001) - STRUCTURE AND ELECTRONIC-PROPERTIES [J].

GREUTER, F ;

HESKETT, D ;

PLUMMER, EW ;

FREUND, HJ .

PHYSICAL REVIEW B, 1983, 27 (12) :7117-7135

[17] SELF-CONSISTENT-FIELD WAVEFUNCTIONS FOR COMPLEX MOLECULES - APPROXIMATION OF PARTIAL RETENTION OF DIATOMIC DIFFERENTIAL OVERLAP [J].

HALGREN, TA ;

LIPSCOMB, WN .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (04) :1569-1591

[18] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].

HEHRE, WJ ;

STEWART, RF ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+

[19] ELECTRON-PARAMAGNETIC RESONANCE-SPECTRUM OF CU(CO)3 - AN INORGANIC ISOLOBAL ANALOG OF METHYL [J].

HOWARD, JA ;

MILE, B ;

MORTON, JR ;

PRESTON, KF ;

SUTCLIFFE, R .

JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (06) :1033-1036

[20] ELECTRON-PARAMAGNETIC-RES SPECTRA OF COPPER(0) AND SILVER(0) TRICARBONYLS AND TRICYANIDES [J].

HOWARD, JA ;

MILE, B ;

MORTON, JR ;

PRESTON, KF .

JOURNAL OF PHYSICAL CHEMISTRY, 1986, 90 (10) :2027-2029

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