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MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .10. GROUND AND LOW-LYING EXCITED-STATES OF FORMIC-ACID DIMER
被引:44
作者
:
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
[
1
]
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[
1
]
机构
:
[1]
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
来源
:
THEORETICA CHIMICA ACTA
|
1977年
/ 44卷
/ 04期
关键词
:
D O I
:
10.1007/BF00547827
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:323 / 339
页数:17
相关论文
共 30 条
[1]
CORRELATIONS AMONG ELECTRONIC TRANSITIONS FOR CARBONYL AND FOR CARBOXYL IN VACUUM ULTRAVIOLET
[J].
BARNES, EE
论文数:
0
引用数:
0
h-index:
0
BARNES, EE
;
SIMPSON, WT
论文数:
0
引用数:
0
h-index:
0
SIMPSON, WT
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(03)
:670
-&
[2]
Photoelectron spectroscopy of simple amides and carboxylic acids
[J].
Brundle, C. R.
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Lab Inc, Murray Hill, NJ USA
Bell Telephone Lab Inc, Murray Hill, NJ USA
Brundle, C. R.
;
Turner, D. W.
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Lab Inc, Murray Hill, NJ USA
Turner, D. W.
;
Robin, M. B.
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Lab Inc, Murray Hill, NJ USA
Robin, M. B.
;
Basch, H.
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Lab Inc, Murray Hill, NJ USA
Basch, H.
.
CHEMICAL PHYSICS LETTERS,
1969,
3
(05)
:292
-296
[3]
HIGH-RESOLUTION HE-I AND HE-II PHOTELECTRON SPECTRA OF XENON DIFLUORIDE
[J].
BRUNDLE, CR
论文数:
0
引用数:
0
h-index:
0
BRUNDLE, CR
;
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
ROBIN, MB
;
JONES, GR
论文数:
0
引用数:
0
h-index:
0
JONES, GR
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(07)
:3383
-&
[4]
STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .12. HYDROGEN BRIDGES IN GUANINE-CYTOSINE PAIR AND IN DIMERIC FORM OF FORMIC ACID
[J].
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
;
MEHL, J
论文数:
0
引用数:
0
h-index:
0
MEHL, J
;
VONNIESS.W
论文数:
0
引用数:
0
h-index:
0
VONNIESS.W
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:508
-&
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
;
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
:2657
-+
[6]
HIRSCHFELDER JO, 1964, THEORY GASES LIQUIDS
[7]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .4. HYDROGEN-BONDS IN EXCITED-STATES OF H2CO WITH H2O
[J].
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
;
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
.
CHEMICAL PHYSICS LETTERS,
1973,
19
(01)
:94
-98
[8]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .6. ORIGIN OF RED SHIFT OF PI-PI-STAR TRANSITIONS - TRANS-ACROLEIN-WATER COMPLEX
[J].
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
;
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(05)
:966
-970
[9]
AB-INITIO EVALUATION OF CORRELATION CONTRIBUTIONS TO TRUE PI-ELECTRON HAMILTONIAN - ETHYLENE
[J].
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
IWATA, S
;
FREED, KF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
FREED, KF
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(04)
:1500
-1509
[10]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .5. ANALYSIS OF HYDROGEN-BOND ENERGY BETWEEN LOWER EXCITED-STATES OF H2CO AND H2O
[J].
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
;
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(23)
:7563
-7575
←
1
2
3
→
共 30 条
[1]
CORRELATIONS AMONG ELECTRONIC TRANSITIONS FOR CARBONYL AND FOR CARBOXYL IN VACUUM ULTRAVIOLET
[J].
BARNES, EE
论文数:
0
引用数:
0
h-index:
0
BARNES, EE
;
SIMPSON, WT
论文数:
0
引用数:
0
h-index:
0
SIMPSON, WT
.
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(03)
:670
-&
[2]
Photoelectron spectroscopy of simple amides and carboxylic acids
[J].
Brundle, C. R.
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Lab Inc, Murray Hill, NJ USA
Bell Telephone Lab Inc, Murray Hill, NJ USA
Brundle, C. R.
;
Turner, D. W.
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Lab Inc, Murray Hill, NJ USA
Turner, D. W.
;
Robin, M. B.
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Lab Inc, Murray Hill, NJ USA
Robin, M. B.
;
Basch, H.
论文数:
0
引用数:
0
h-index:
0
机构:
Bell Telephone Lab Inc, Murray Hill, NJ USA
Basch, H.
.
CHEMICAL PHYSICS LETTERS,
1969,
3
(05)
:292
-296
[3]
HIGH-RESOLUTION HE-I AND HE-II PHOTELECTRON SPECTRA OF XENON DIFLUORIDE
[J].
BRUNDLE, CR
论文数:
0
引用数:
0
h-index:
0
BRUNDLE, CR
;
ROBIN, MB
论文数:
0
引用数:
0
h-index:
0
ROBIN, MB
;
JONES, GR
论文数:
0
引用数:
0
h-index:
0
JONES, GR
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(07)
:3383
-&
[4]
STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .12. HYDROGEN BRIDGES IN GUANINE-CYTOSINE PAIR AND IN DIMERIC FORM OF FORMIC ACID
[J].
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
;
MEHL, J
论文数:
0
引用数:
0
h-index:
0
MEHL, J
;
VONNIESS.W
论文数:
0
引用数:
0
h-index:
0
VONNIESS.W
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:508
-&
[5]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
[J].
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
;
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
:2657
-+
[6]
HIRSCHFELDER JO, 1964, THEORY GASES LIQUIDS
[7]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .4. HYDROGEN-BONDS IN EXCITED-STATES OF H2CO WITH H2O
[J].
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
;
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
.
CHEMICAL PHYSICS LETTERS,
1973,
19
(01)
:94
-98
[8]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .6. ORIGIN OF RED SHIFT OF PI-PI-STAR TRANSITIONS - TRANS-ACROLEIN-WATER COMPLEX
[J].
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
;
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(05)
:966
-970
[9]
AB-INITIO EVALUATION OF CORRELATION CONTRIBUTIONS TO TRUE PI-ELECTRON HAMILTONIAN - ETHYLENE
[J].
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
IWATA, S
;
FREED, KF
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CHICAGO,JAMES FRANCK INST,CHICAGO,IL 60637
FREED, KF
.
JOURNAL OF CHEMICAL PHYSICS,
1974,
61
(04)
:1500
-1509
[10]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .5. ANALYSIS OF HYDROGEN-BOND ENERGY BETWEEN LOWER EXCITED-STATES OF H2CO AND H2O
[J].
IWATA, S
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
IWATA, S
;
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(23)
:7563
-7575
←
1
2
3
→