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ABSOLUTE OVERLAP AND 2ND MOMENT DISPERSIONS AS MEASURES OF LOCALIZABILITY IN SPATIAL AND ENERGETIC METHODS
被引:7
作者
:
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
BURKE, LA
[
1
]
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
LEROY, G
[
1
]
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
DAUDEL, R
[
1
]
STEPHENS, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
STEPHENS, ME
[
1
]
机构
:
[1]
CTR MECAN ONDULATOIRE APPL,F-75019 PARIS,FRANCE
来源
:
CHEMICAL PHYSICS LETTERS
|
1978年
/ 57卷
/ 01期
关键词
:
D O I
:
10.1016/0009-2614(78)80342-X
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:15 / 21
页数:7
相关论文
共 29 条
[1]
ELECTRONIC STATES OF AMIDE GROUP
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
;
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
ROBIN, MB
;
KUEBLER, NA
论文数:
0
引用数:
0
h-index:
0
KUEBLER, NA
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(04)
:1201
-&
[2]
CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:296
-299
[3]
LOCALIZED MOLECULAR-ORBITALS FOR CUMULENES - 3-CENTER BONDS, FRACTIONAL BONDS, AND BENDING FORCE CONSTANTS
[J].
BROWN, LD
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138
HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138
BROWN, LD
;
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138
HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138
LIPSCOMB, WN
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(12)
:3968
-3979
[4]
THEORETICAL-STUDY OF DIELS-ALDER REACTION
[J].
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
BURKE, LA
;
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
LEROY, G
;
SANA, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
SANA, M
.
THEORETICA CHIMICA ACTA,
1975,
40
(04)
:313
-321
[5]
THEORETICAL-STUDY OF AZIDO-TETRAZOLE ISOMERIZATION
[J].
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AIX MARSEILLE 3,DEPT CHIM ORG,13397 MARSEILLE 4,FRANCE
BURKE, LA
;
ELGUERO, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AIX MARSEILLE 3,DEPT CHIM ORG,13397 MARSEILLE 4,FRANCE
ELGUERO, J
;
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AIX MARSEILLE 3,DEPT CHIM ORG,13397 MARSEILLE 4,FRANCE
LEROY, G
;
SANA, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AIX MARSEILLE 3,DEPT CHIM ORG,13397 MARSEILLE 4,FRANCE
SANA, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(07)
:1685
-1690
[6]
ELECTRON-DENSITY AND LOCALIZABILITY IN BH
[J].
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
机构:
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
DAUDEL, R
;
STEPHENS, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
STEPHENS, ME
;
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
BURKE, LA
;
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
LEROY, G
.
CHEMICAL PHYSICS LETTERS,
1977,
52
(03)
:426
-430
[7]
LIMITS ON LOCALIZED INTERPRETATION OF MOLECULAR-ORBITAL WAVEFUNCTIONS
[J].
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECANIQUE ONDULATOIRE APPL,F-75019 PARIS,FRANCE
DAUDEL, R
;
STEPHENS, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECANIQUE ONDULATOIRE APPL,F-75019 PARIS,FRANCE
STEPHENS, ME
;
KAPUY, E
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECANIQUE ONDULATOIRE APPL,F-75019 PARIS,FRANCE
KAPUY, E
;
KOZMUTZA, C
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECANIQUE ONDULATOIRE APPL,F-75019 PARIS,FRANCE
KOZMUTZA, C
.
CHEMICAL PHYSICS LETTERS,
1976,
40
(02)
:194
-198
[8]
THEORY OF LONE PAIRS .2. MOMENT ANALYSIS OF LOCALIZED MOLECULAR-ORBITALS IN 10-ELECTRON HYDRIDES
[J].
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
DAUDEL, R
;
STEPHENS, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
STEPHENS, ME
;
CSIZMADIA, IG
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
CSIZMADIA, IG
;
KOZMUTZA, C
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
KOZMUTZA, C
;
KAPUY, E
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
KAPUY, E
;
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
GODDARD, JD
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1977,
11
(04)
:665
-683
[9]
DAUDEL R, 1968, FUNDAMENTALS THEORET
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
←
1
2
3
→
共 29 条
[1]
ELECTRONIC STATES OF AMIDE GROUP
[J].
BASCH, H
论文数:
0
引用数:
0
h-index:
0
BASCH, H
;
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
ROBIN, MB
;
KUEBLER, NA
论文数:
0
引用数:
0
h-index:
0
KUEBLER, NA
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(04)
:1201
-&
[2]
CONSTRUCTION OF SOME MOLECULAR ORBITALS TO BE APPROXIMATELY INVARIANT FOR CHANGES FROM ONE MOLECULE TO ANOTHER
[J].
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
.
REVIEWS OF MODERN PHYSICS,
1960,
32
(02)
:296
-299
[3]
LOCALIZED MOLECULAR-ORBITALS FOR CUMULENES - 3-CENTER BONDS, FRACTIONAL BONDS, AND BENDING FORCE CONSTANTS
[J].
BROWN, LD
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138
HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138
BROWN, LD
;
LIPSCOMB, WN
论文数:
0
引用数:
0
h-index:
0
机构:
HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138
HARVARD UNIV,GIBBS CHEM LAB,CAMBRIDGE,MA 02138
LIPSCOMB, WN
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(12)
:3968
-3979
[4]
THEORETICAL-STUDY OF DIELS-ALDER REACTION
[J].
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
BURKE, LA
;
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
LEROY, G
;
SANA, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
UNIV CATHOLIQUE LOUVAIN,LAB CHIM QUANT,BATIMENT LAVOISIER,PL LOUIS PASTEUR 1,B-1348 LOUVAIN-LA-NEUVE,BELGIUM
SANA, M
.
THEORETICA CHIMICA ACTA,
1975,
40
(04)
:313
-321
[5]
THEORETICAL-STUDY OF AZIDO-TETRAZOLE ISOMERIZATION
[J].
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AIX MARSEILLE 3,DEPT CHIM ORG,13397 MARSEILLE 4,FRANCE
BURKE, LA
;
ELGUERO, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AIX MARSEILLE 3,DEPT CHIM ORG,13397 MARSEILLE 4,FRANCE
ELGUERO, J
;
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AIX MARSEILLE 3,DEPT CHIM ORG,13397 MARSEILLE 4,FRANCE
LEROY, G
;
SANA, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV AIX MARSEILLE 3,DEPT CHIM ORG,13397 MARSEILLE 4,FRANCE
SANA, M
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(07)
:1685
-1690
[6]
ELECTRON-DENSITY AND LOCALIZABILITY IN BH
[J].
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
机构:
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
DAUDEL, R
;
STEPHENS, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
STEPHENS, ME
;
BURKE, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
BURKE, LA
;
LEROY, G
论文数:
0
引用数:
0
h-index:
0
机构:
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
CATHOLIC UNIV LOUVAIN,CHIM QUANTIQUE LAB,B-1348 LOUVAIN LA NEUVE,BELGIUM
LEROY, G
.
CHEMICAL PHYSICS LETTERS,
1977,
52
(03)
:426
-430
[7]
LIMITS ON LOCALIZED INTERPRETATION OF MOLECULAR-ORBITAL WAVEFUNCTIONS
[J].
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECANIQUE ONDULATOIRE APPL,F-75019 PARIS,FRANCE
DAUDEL, R
;
STEPHENS, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECANIQUE ONDULATOIRE APPL,F-75019 PARIS,FRANCE
STEPHENS, ME
;
KAPUY, E
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECANIQUE ONDULATOIRE APPL,F-75019 PARIS,FRANCE
KAPUY, E
;
KOZMUTZA, C
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECANIQUE ONDULATOIRE APPL,F-75019 PARIS,FRANCE
KOZMUTZA, C
.
CHEMICAL PHYSICS LETTERS,
1976,
40
(02)
:194
-198
[8]
THEORY OF LONE PAIRS .2. MOMENT ANALYSIS OF LOCALIZED MOLECULAR-ORBITALS IN 10-ELECTRON HYDRIDES
[J].
DAUDEL, R
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
DAUDEL, R
;
STEPHENS, ME
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
STEPHENS, ME
;
CSIZMADIA, IG
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
CSIZMADIA, IG
;
KOZMUTZA, C
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
KOZMUTZA, C
;
KAPUY, E
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
KAPUY, E
;
GODDARD, JD
论文数:
0
引用数:
0
h-index:
0
机构:
CTR MECH ONDULATOIRE APPL,PARIS,FRANCE
GODDARD, JD
.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1977,
11
(04)
:665
-683
[9]
DAUDEL R, 1968, FUNDAMENTALS THEORET
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
←
1
2
3
→