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] ABSAR I, 1972, J CHEM SOC FARAD T 2, V68, P799, DOI 10.1039/f29726800799
[2] PNO-CI (PAIR NATURAL ORBITAL CONFIGURATION INTERACTION) AND CEPA-PNO (COUPLED ELECTRON PAIR APPROXIMATION WITH PAIR NATURAL ORBITALS) CALCULATIONS OF MOLECULAR SYSTEMS .1. OUTLINE OF METHOD FOR CLOSED-SHELL STATES
AHLRICHS, R
LISCHKA, H
STAEMMLER, V
KUTZELNIGG, W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) : 1225 - 1234
[3] DIRECT DETERMINATION OF PAIR NATURAL ORBITALS - NEW METHOD TO SOLVE MULTI-CONFIGURATION HARTREE-FOCK PROBLEM FOR 2-ELECTRON WAVE-FUNCTIONS
AHLRICHS, R
DRIESSLER, F
[J]. THEORETICA CHIMICA ACTA, 1975, 36 (04): : 275 - 287
[4] METHODS FOR EFFICIENT EVALUATION OF INTEGRALS FOR GAUSSIAN TYPE BASIS SETS
AHLRICHS, R
[J]. 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
AHLRICHS, R
KUTZELNI.W
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04) : 1819 - &
[6] BAUDLER M, 1952, Z ANORG ALLGEM CHEM, V289, P219
[7] BAUDLER M, 1953, NATURWISSENSCHAFTEN, V44, P488
[8] ELECTRON-DIFFRACTION STUDIES OF HYDRIDES SI2H6 AND P2H4
BEAGLEY, B
FREEMAN, JM
CONRAD, AR
NORTON, BG
HOLYWELL, GC
MONAGHAN, JJ
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1972, 11 (03) : 371 - &
[9] APPROXIMATION OF D-TYPE AND F-TYPE ORBITALS BY SPHERICAL GAUSSIAN FUNCTIONS
DRIESSLER, F
AHLRICHS, R
[J]. CHEMICAL PHYSICS LETTERS, 1973, 23 (04) : 571 - 574
[10] MICROWAVE-SPECTRUM, STRUCTURE, AND DIPOLE-MOMENT OF BIPHOSPHINE-4
DURIG, JR
CARREIRA, LA
ODOM, JD
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (09) : 2688 - 2693

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