LOCAL SPIN-DENSITY DESCRIPTION OF MULTIPLE METAL-METAL BONDING - MO2 AND CR-2

被引:71
作者
BERNHOLC, J
HOLZWARTH, NAW
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D O I
10.1103/PhysRevLett.50.1451
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O4 [物理学];
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0702 ;
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页码:1451 / 1454
页数:4
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[1]  
BONDYBEY VE, UNPUB
[2]   DIMOLYBDENUM - NATURE OF THE SEXTUPLE BOND [J].
BURSTEN, BE ;
COTTON, FA ;
HALL, MB .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (20) :6348-6349
[3]   GROUND-STATE OF THE ELECTRON-GAS BY A STOCHASTIC METHOD [J].
CEPERLEY, DM ;
ALDER, BJ .
PHYSICAL REVIEW LETTERS, 1980, 45 (07) :566-569
[4]  
Cotton F. A., 1982, MULTIPLE BONDS METAL
[5]   METAL-METAL BONDING IN CR-CR AND MO-MO DIMERS - ANOTHER SUCCESS OF LOCAL SPIN-DENSITY THEORY [J].
DELLEY, B ;
FREEMAN, AJ ;
ELLIS, DE .
PHYSICAL REVIEW LETTERS, 1983, 50 (07) :488-491
[6]  
DEMELLO PC, 1982, J AM CHEM SOC, V104, P1440
[7]  
DILELLA DP, 1982, J CHEM PHYS, V77, P6263
[8]   SOME APPROXIMATIONS IN APPLICATIONS OF X-ALPHA THEORY [J].
DUNLAP, BI ;
CONNOLLY, JWD ;
SABIN, JR .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) :3396-3402
[9]   ELECTRONIC-SPECTRUM OF THE MO2 MOLECULE OBSERVED AFTER FLASH-PHOTOLYSIS OF MO(CO)6 [J].
EFREMOV, YM ;
SAMOILOVA, AN ;
KOZHUKHOVSKY, VB ;
GURVICH, LV .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1978, 73 (03) :430-440
[10]  
Efremov Yu. M., 1974, Optics and Spectroscopy, V36, P381