AN ABINITIO STUDY OF THE BONDING IN DIATOMIC NICKEL

被引:89
作者
NOELL, JO
NEWTON, MD
HAY, PJ
MARTIN, RL
BOBROWICZ, FW
机构
[1] UNIV CALIF LOS ALAMOS SCI LAB,DIV THEORET,LOS ALAMOS,NM 87545
[2] BROOKHAVEN NATL LAB,DEPT CHEM,UPTON,NY 11973
[3] MONSANTO RES CORP,MOUND LAB,MIAMISBURG,OH 45342
关键词
D O I
10.1063/1.440386
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
收藏
页码:2360 / 2371
页数:12
相关论文
共 49 条
[1]   A-]X SYSTEM OF NI-2 IN ARGON MATRICES [J].
AHMED, F ;
NIXON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (08) :3547-3549
[2]   STRUCTURES, BINDING-ENERGIES, AND CHARGE-DISTRIBUTIONS FOR 2 TO 6 ATOM TI, CR, FE, AND NI CLUSTERS AND THEIR RELATIONSHIP TO NUCLEATION AND CLUSTER CATALYSIS [J].
ANDERSON, AB .
JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (10) :4046-4055
[3]   THEORY OF UV SPECTRA FOR NI2 AND NI3 AND HYPOTHESIS FOR ARGON MATRIX FREQUENCY-SHIFTS FOR NI ATOMS [J].
ANDERSON, AB .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (11) :5108-5111
[4]  
[Anonymous], 1958, HDB LATTICE SPACINGS
[5]   EXTENDED X-RAY-ABSORPTION FINE-STRUCTURE OF SMALL CU AND NI CLUSTERS - BINDING-ENERGY AND BOND-LENGTH CHANGES WITH CLUSTER SIZE [J].
APAI, G ;
HAMILTON, JF ;
STOHR, J ;
THOMPSON, A .
PHYSICAL REVIEW LETTERS, 1979, 43 (02) :165-169
[6]  
ASLUND N, 1965, ARK FYS, V30, P171
[7]   GAUSSIAN-ORBITAL BASIS SETS FOR FIRST-ROW TRANSITION-METAL ATOMS [J].
BASCH, H ;
HORNBACK, CJ ;
MOSKOWITZ, JW .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (04) :1311-+
[8]  
BASCH H, UNPUBLISHED
[9]   CNDO MO CALCULATIONS FOR HYDROGEN-ATOM ADSORPTION ON NICKEL ATOM CLUSTERS [J].
BLYHOLDER, G .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (08) :3193-3197
[10]  
Bobrowicz F.W., 1977, MODERN THEORETICAL C, V3