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MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .8. HYDROGEN-BONDING IN H2O-H2CO IN RELAXED SINGLET AND TRIPLET N-]PISTAR STATES
被引:13
作者
:
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44503
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44503
DELBENE, JE
[
1
]
机构
:
[1]
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44503
来源
:
CHEMICAL PHYSICS LETTERS
|
1973年
/ 23卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(73)80272-6
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:287 / 291
页数:5
相关论文
共 10 条
[1]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .4. DIMERS ROH...OCH2
[J].
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44503
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44503
DELBENE, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(08)
:3139
-3145
[2]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .3. DIMERS CONTAINING NH2OH, H2O, HOF, AND H2O
[J].
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(05)
:1899
-&
[3]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .2. DIMERS CONTAINING H2O2 AND H2O
[J].
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(10)
:4923
-&
[4]
DELBENE JE, TO BE PUBLISHED
[5]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .14. EQUILIBRIUM GEOMETRIES AND ENERGIES OF LOW-LYING EXCITED-STATES
[J].
DITCHFIE.R
论文数:
0
引用数:
0
h-index:
0
DITCHFIE.R
;
DELBENE, J
论文数:
0
引用数:
0
h-index:
0
DELBENE, J
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(14)
:4806
-&
[6]
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
-+
[7]
HERZBERG G, 1967, ELECTRONIC SPECTRA P
[8]
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
[9]
ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
[J].
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
MULLIKEN, RS
.
JOURNAL OF CHEMICAL PHYSICS,
1955,
23
(10)
:1833
-1840
[10]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .5. AB-INITIO CALCULATION EQUILIBRIUM GEOMETRIES AND QUADRATIC FORCE CONSTANTS
[J].
NEWTON, MD
论文数:
0
引用数:
0
h-index:
0
NEWTON, MD
;
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
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,
1970,
52
(08)
:4064
-&
←
1
→
共 10 条
[1]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .4. DIMERS ROH...OCH2
[J].
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44503
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44503
DELBENE, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1973,
58
(08)
:3139
-3145
[2]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .3. DIMERS CONTAINING NH2OH, H2O, HOF, AND H2O
[J].
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
57
(05)
:1899
-&
[3]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .2. DIMERS CONTAINING H2O2 AND H2O
[J].
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
.
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(10)
:4923
-&
[4]
DELBENE JE, TO BE PUBLISHED
[5]
MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .14. EQUILIBRIUM GEOMETRIES AND ENERGIES OF LOW-LYING EXCITED-STATES
[J].
DITCHFIE.R
论文数:
0
引用数:
0
h-index:
0
DITCHFIE.R
;
DELBENE, J
论文数:
0
引用数:
0
h-index:
0
DELBENE, J
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(14)
:4806
-&
[6]
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
-+
[7]
HERZBERG G, 1967, ELECTRONIC SPECTRA P
[8]
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
[9]
ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
[J].
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
MULLIKEN, RS
.
JOURNAL OF CHEMICAL PHYSICS,
1955,
23
(10)
:1833
-1840
[10]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .5. AB-INITIO CALCULATION EQUILIBRIUM GEOMETRIES AND QUADRATIC FORCE CONSTANTS
[J].
NEWTON, MD
论文数:
0
引用数:
0
h-index:
0
NEWTON, MD
;
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
LATHAN, WA
;
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,
1970,
52
(08)
:4064
-&
←
1
→