CONFORMATION ANALYSIS OF DIPHOSPHINE

被引：17

作者：

AHLRICHS, R ^{[1
]}

HEINZMANN, R ^{[1
]}

ZIRZ, C ^{[1
]}

机构：

[1] UNIV KARLSRUHE,INST PHYS CHEM,LEHRSTUHL THEORET CHEM,D-7500 KARLSRUHE,FED REP GER

来源：

THEORETICA CHIMICA ACTA | 1976年 / 43卷 / 01期

关键词：

D O I：

10.1007/BF00548954

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：29 / 35

页数：7

共 22 条

[1]

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[3] DIRECT DETERMINATION OF PAIR NATURAL ORBITALS - NEW METHOD TO SOLVE MULTI-CONFIGURATION HARTREE-FOCK PROBLEM FOR 2-ELECTRON WAVE-FUNCTIONS [J].

AHLRICHS, R ;

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[4] METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS [J].

AHLRICHS, R .

THEORETICA CHIMICA ACTA, 1974, 33 (02) :157-167

[5] DIRECT CALCULATION OF APPROXIMATE NATURAL ORBITALS AND NATURAL EXPANSION COEFFICIENTS OF ATOMIC AND MOLECULAR ELECTRONIC WAVEFUNCTIONS .2. DECOUPLING OF PAIR EQUATIONS AND CALCULATION OF PAIR CORRELATION ENERGIES FOR BE AND LIH GROUND STATES [J].

AHLRICHS, R ;

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[6]

BAUDLER M, 1952, Z ANORG ALLGEM CHEM, V289, P219

[7]

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[8] ELECTRON-DIFFRACTION STUDIES OF HYDRIDES SI2H6 AND P2H4 [J].

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[9] APPROXIMATION OF D-TYPE AND F-TYPE ORBITALS BY SPHERICAL GAUSSIAN FUNCTIONS [J].

DRIESSLER, F ;

AHLRICHS, R .

CHEMICAL PHYSICS LETTERS, 1973, 23 (04) :571-574

[10] MICROWAVE-SPECTRUM, STRUCTURE, AND DIPOLE-MOMENT OF BIPHOSPHINE-4 [J].

DURIG, JR ;

CARREIRA, LA ;

ODOM, JD .

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