ABINITIO INTERATOMIC POTENTIAL CURVES FOR NANO2 AND THE SIMULATION OF THE MOLTEN-SALT

被引：8

作者：

GODDARD, JD ^{[1
]}

KLEIN, ML ^{[1
]}

OZAKI, Y ^{[1
]}

机构：

[1] NATL RES COUNCIL CANADA,DIV CHEM,OTTAWA K1A 0R6,ONTARIO,CANADA

来源：

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 1983年 / 52卷 / 04期

关键词：

D O I：

10.1143/JPSJ.52.1168

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：1168 / 1172

页数：5

共 35 条

[1] INFRARED DIELECTRIC DISPERSION AND APPARENT IONIC CHARGES IN SODIUM NITRITE [J].

AXE, JD .

PHYSICAL REVIEW, 1968, 167 (02) :573-&

[2] MONTE-CARLO SIMULATION OF SMALL HYDRATE CLUSTERS OF NO-2 [J].

BANERJEE, A ;

SHEPARD, R ;

SIMONS, J .

JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (04) :1814-1826

[3]

BARANOSKI MK, 1968, PHYS REV, V174, P946

[4] ABINITIO CALCULATIONS OF VERTICAL ELECTRONIC-SPECTRA OF NO2, NO-2(+), AND NO-2(-) [J].

BENIOFF, PA .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (08) :3405-3412

[5] ANISOTROPY OF THE ELECTROSTATIC INTERACTIONS AND THE PROPERTIES OF ORIENTATIONALLY DISORDERED CYANIDE CRYSTALS [J].

BOUNDS, DG ;

KLEIN, ML ;

MCDONALD, IR .

PHYSICAL REVIEW LETTERS, 1981, 46 (26) :1682-1685

[6] FURTHER LEAST-SQUARES REFINEMENT OF THE CRYSTAL STRUCTURE OF SODIUM NITRITE [J].

CARPENTER, GB .

ACTA CRYSTALLOGRAPHICA, 1955, 8 (12) :852-853

[7]

Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

[8] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS [J].

DUNNING, TH .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :716-+

[9]

DURAND D, 1982, J PHYS-PARIS, V43, P149, DOI 10.1051/jphys:01982004301014900

[10] MICROSCOPIC MODEL OF NANO2 IN THE PARA-ELECTRIC PHASE [J].

EHRHARDT, KD ;

MICHEL, KH .

ZEITSCHRIFT FUR PHYSIK B-CONDENSED MATTER, 1981, 41 (04) :329-339

← 1 2 3 4 →