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A THEORETICAL-STUDY OF THE ADSORPTION OF SIMPLE MOLECULES ON MGO SURFACES - CO, HCO, HOC, H2CO, HCOH, CH2OH AND CH3O
被引:39
作者
:
POPE, SA
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & ENGN RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
POPE, SA
HILLIER, IH
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & ENGN RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
HILLIER, IH
GUEST, MF
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & ENGN RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
GUEST, MF
COLBOURN, EA
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & ENGN RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
COLBOURN, EA
KENDRICK, J
论文数:
0
引用数:
0
h-index:
0
机构:
SCI & ENGN RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
KENDRICK, J
机构
:
[1]
SCI & ENGN RES COUNCIL,DARESBURY LAB,WARRINGTON WA4 4AD,ENGLAND
[2]
ICI PLC,NEW SCI GRP,RUNCORN WA7 4QE,CHESHIRE,ENGLAND
来源
:
SURFACE SCIENCE
|
1984年
/ 139卷
/ 2-3期
关键词
:
D O I
:
10.1016/0039-6028(84)90052-9
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:299 / 315
页数:17
相关论文
共 28 条
[1]
BONDING AND BACK-BONDING IN NICO - A MCSCF STUDY
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
BAGUS, PS
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
ROOS, BO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(12)
: 5961
-
5962
[2]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[3]
AXIS SWITCHING IN A2A''-X2A' TRANSITION OF HCO - DETERMINATION OF MOLECULAR GEOMETRY
BROWN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV SOUTHAMPTON, DEPT CHEM, SOUTHAMPTON S09 5NH, ENGLAND
BROWN, JM
RAMSAY, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV SOUTHAMPTON, DEPT CHEM, SOUTHAMPTON S09 5NH, ENGLAND
RAMSAY, DA
[J].
CANADIAN JOURNAL OF PHYSICS,
1975,
53
(19)
: 2232
-
2241
[4]
THEORETICAL ASPECTS OF H-2 AND CO CHEMISORPTION ON MGO SURFACES
COLBOURN, EA
论文数:
0
引用数:
0
h-index:
0
COLBOURN, EA
MACKRODT, WC
论文数:
0
引用数:
0
h-index:
0
MACKRODT, WC
[J].
SURFACE SCIENCE,
1982,
117
(1-3)
: 571
-
580
[5]
DEFECTIVE NON-PLANAR SURFACES OF MGO
COLBOURN, EA
论文数:
0
引用数:
0
h-index:
0
COLBOURN, EA
KENDRICK, J
论文数:
0
引用数:
0
h-index:
0
KENDRICK, J
MACKRODT, WC
论文数:
0
引用数:
0
h-index:
0
MACKRODT, WC
[J].
SURFACE SCIENCE,
1983,
126
(1-3)
: 550
-
557
[6]
COLBOURN EA, UNPUB
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 716
-
+
[8]
THEORETICAL CHARACTERIZATION OF THE POTENTIAL-ENERGY SURFACE OF THE GROUND-STATE OF THE HCO SYSTEM
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(05)
: 2304
-
2309
[9]
DUPUIS M, 1980, NRC SOFTWARE CATALOG, V1
[10]
LASER PHOTODETACHMENT ELECTRON SPECTROMETRY OF METHOXIDE, DEUTEROMETHOXIDE, AND THIOMETHOXIDE - ELECTRON AFFINITES AND VIBRATIONAL STRUCTURE OF CH3O, CD3O, AND CH3S
ENGELKING, PC
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
ENGELKING, PC
ELLISON, GB
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
ELLISON, GB
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
LINEBERGER, WC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(05)
: 1826
-
1832
←
1
2
3
→
共 28 条
[1]
BONDING AND BACK-BONDING IN NICO - A MCSCF STUDY
BAGUS, PS
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
BAGUS, PS
ROOS, BO
论文数:
0
引用数:
0
h-index:
0
机构:
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
CHEM CTR,DEPT PHYS CHEM 2,S-22007 LUND,SWEDEN
ROOS, BO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1981,
75
(12)
: 5961
-
5962
[2]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[3]
AXIS SWITCHING IN A2A''-X2A' TRANSITION OF HCO - DETERMINATION OF MOLECULAR GEOMETRY
BROWN, JM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV SOUTHAMPTON, DEPT CHEM, SOUTHAMPTON S09 5NH, ENGLAND
BROWN, JM
RAMSAY, DA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV SOUTHAMPTON, DEPT CHEM, SOUTHAMPTON S09 5NH, ENGLAND
RAMSAY, DA
[J].
CANADIAN JOURNAL OF PHYSICS,
1975,
53
(19)
: 2232
-
2241
[4]
THEORETICAL ASPECTS OF H-2 AND CO CHEMISORPTION ON MGO SURFACES
COLBOURN, EA
论文数:
0
引用数:
0
h-index:
0
COLBOURN, EA
MACKRODT, WC
论文数:
0
引用数:
0
h-index:
0
MACKRODT, WC
[J].
SURFACE SCIENCE,
1982,
117
(1-3)
: 571
-
580
[5]
DEFECTIVE NON-PLANAR SURFACES OF MGO
COLBOURN, EA
论文数:
0
引用数:
0
h-index:
0
COLBOURN, EA
KENDRICK, J
论文数:
0
引用数:
0
h-index:
0
KENDRICK, J
MACKRODT, WC
论文数:
0
引用数:
0
h-index:
0
MACKRODT, WC
[J].
SURFACE SCIENCE,
1983,
126
(1-3)
: 550
-
557
[6]
COLBOURN EA, UNPUB
[7]
GAUSSIAN BASIS FUNCTIONS FOR USE IN MOLECULAR CALCULATIONS .3. CONTRACTION OF (10S6P) ATOMIC BASIS SETS FOR FIRST-ROW ATOMS
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 716
-
+
[8]
THEORETICAL CHARACTERIZATION OF THE POTENTIAL-ENERGY SURFACE OF THE GROUND-STATE OF THE HCO SYSTEM
DUNNING, TH
论文数:
0
引用数:
0
h-index:
0
DUNNING, TH
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
73
(05)
: 2304
-
2309
[9]
DUPUIS M, 1980, NRC SOFTWARE CATALOG, V1
[10]
LASER PHOTODETACHMENT ELECTRON SPECTROMETRY OF METHOXIDE, DEUTEROMETHOXIDE, AND THIOMETHOXIDE - ELECTRON AFFINITES AND VIBRATIONAL STRUCTURE OF CH3O, CD3O, AND CH3S
ENGELKING, PC
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
ENGELKING, PC
ELLISON, GB
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
ELLISON, GB
LINEBERGER, WC
论文数:
0
引用数:
0
h-index:
0
机构:
NBS,BOULDER,CO 80309
LINEBERGER, WC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1978,
69
(05)
: 1826
-
1832
←
1
2
3
→