SILANOL AS A MODEL FOR THE FREE HYDROXYL OF AMORPHOUS SILICA - QUANTUM-MECHANICAL CALCULATION OF THE INTERACTION WITH CO

被引：64

作者：

UGLIENGO, P

SAUNDERS, VR

GARRONE, E

机构：

[1] UNIV TURIN, DIPARTIMENTO CHIM INORGAN CHIM FIS & CHIM MAT, VIA P GIURIA 7, I-10125 TURIN, ITALY

[2] SERC, DARESBURY LAB, WARRINGTON WA4 4AD, CHESHIRE, ENGLAND

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1989年 / 93卷 / 13期

关键词：

D O I：

10.1021/j100350a036

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：5210 / 5215

页数：6

共 58 条

[11] INVESTIGATION OF THE DIFFERENCES IN STABILITY OF THE OC ... HF AND CO ... HF COMPLEXES
CURTISS, LA
POCHATKO, DJ
REED, AE
WEINHOLD, F
[J]. JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (06) : 2679 - 2687
[12] LITHIUM AND SODIUM-CATION AFFINITIES OF H-2, N-2, AND CO
DIXON, DA
GOLE, JL
KOMORNICKI, A
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (05) : 1378 - 1382
[13] ENERGETICS OF THE PROTONATION OF CO - IMPLICATIONS FOR THE OBSERVATION OF HOC+ IN DENSE INTERSTELLAR CLOUDS
DIXON, DA
KOMORNICKI, A
KRAEMER, WP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) : 3603 - 3611
[14] CO ADSORPTION ON MGO CRYSTALS - HARTREE-FOCK CALCULATIONS FOR REGULAR ADLAYERS ON A (001) LATTICE PLANE
DOVESI, R
ORLANDO, R
RICCA, F
ROETTI, C
[J]. SURFACE SCIENCE, 1987, 186 (1-2) : 267 - 278
[15] Dunning T.H., 1977, MODERN THEORETICAL C, V3, P1, DOI DOI 10.1007/978-1-4757-0887-5_1
[16] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .1. CONTRACTION OF (9S5P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) : 2823 - +
[17] GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 716 - +
[18] EBSWORTH EAV, 1963, VOLATILE SILICON COM
[19] GARRONE E, 1988, STUDIES SURFACE SCI
[20] INTERACTION OF SURFACE HYDROXYLS WITH ADSORBED MOLECULES - A QUANTUM-CHEMICAL STUDY
GEERLINGS, P
TARIEL, N
BOTREL, A
LISSILLOUR, R
MORTIER, WJ
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1984, 88 (23) : 5752 - 5759

← 1 2 3 4 5 6 →