AB-INITIO CRYSTAL ORBITAL TREATMENT OF HYDROGEN-FLUORIDE (HF) CHAINS

被引：29

作者：

KERTESZ, M

KOLLER, J

AZMAN, A

机构：

[1] HUNGARIAN ACAD SCI, CENT RES INST CHEM, 1525 BUDAPEST, HUNGARY

[2] B KIDRIC CHEM INST, 61001 LJUBLJANA, YUGOSLAVIA

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 36卷 / 05期

关键词：

D O I：

10.1016/0009-2614(75)85341-3

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：576 / 579

页数：4

共 11 条

[1] THE CRYSTAL STRUCTURE OF HYDROGEN FLUORIDE
ATOJI, M
LIPSCOMB, WN
[J]. ACTA CRYSTALLOGRAPHICA, 1954, 7 (02): : 173 - 175
[2] MOLECULAR-ORBITAL THEORY FOR INFINITE SYSTEMS - HYDROGEN-BONDED MOLECULAR-CRYSTALS
BACON, J
SANTRY, DP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) : 2011 - &
[3] BAND-STRUCTURE OF SOLID HF
BASSANI, F
PIETRONERO, L
RESTA, R
[J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1973, 6 (13): : 2133 - 2146
[4] SELF-CONSISTENT-FIELD TIGHT-BINDING TREATMENT OF POLYMERS .I. INFINITE 3-DIMENSIONAL CASE
DELRE, G
LADIK, J
BICZO, G
[J]. PHYSICAL REVIEW, 1967, 155 (03): : 997 - &
[5] SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O
DIERCKSEN, GHF
KRAEMER, WP
ROOS, BO
[J]. THEORETICA CHIMICA ACTA, 1975, 36 (04): : 249 - 274
[6] NUCLEAR MAGNETIC RESONANCE DATA ON PROTON POSITIONS IN SOLID HF
HABUDA, SP
GAGARINS.YV
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL CRYSTALLOGRAPHY AND CRYSTAL CHEMISTRY, 1971, B 27 (AUG15): : 1677 - &
[7] HEHRE WJ, GAUSSIAN 70
[8] HYDROGEN-BONDING IN LONG CHAINS OF HYDROGEN-FLUORIDE AND LONG CHAINS AND LARGE CLUSTERS OF WATER MOLECULES .10. LCAO-MO STUDIES ON MOLECULAR-STRUCTURE
KARPFEN, A
LADIK, J
RUSSEGGER, P
SCHUSTER, P
SUHAI, S
[J]. THEORETICA CHIMICA ACTA, 1974, 34 (02): : 115 - 127
[9] KERTESZ M, TO BE PUBLISHED
[10] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .5. AB-INITIO CALCULATION EQUILIBRIUM GEOMETRIES AND QUADRATIC FORCE CONSTANTS
NEWTON, MD
LATHAN, WA
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (08) : 4064 - &

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