学术探索
学术期刊
新闻热点
数据分析
智能评审
立即登录
MOLECULAR-ORBITAL THEORY OF THE HYDROGEN-BOND .29. WATER-THYMINE COMPLEXES
被引:31
作者
:
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1982年
/ 76卷
/ 02期
关键词
:
D O I
:
10.1063/1.443097
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:1058 / 1063
页数:6
相关论文
共 13 条
[1]
A THEORETICAL-STUDY ON THE WATER-STRUCTURE FOR NUCLEIC-ACIDS BASES AND BASE-PAIRS IN SOLUTION AT T=300-K
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
GUIDO DONEGANI SPA, IST RIC, I-28100 NOVARA, ITALY
GUIDO DONEGANI SPA, IST RIC, I-28100 NOVARA, ITALY
CLEMENTI, E
CORONGIU, G
论文数:
0
引用数:
0
h-index:
0
机构:
GUIDO DONEGANI SPA, IST RIC, I-28100 NOVARA, ITALY
GUIDO DONEGANI SPA, IST RIC, I-28100 NOVARA, ITALY
CORONGIU, G
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(07)
: 3979
-
3992
[2]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS
COLLINS, JB
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(12)
: 5142
-
5151
[3]
MOLECULAR-ORBITAL THEORY OF THE HYDROGEN-BOND .25. WATER-URACIL COMPLEXES IN EXCITED N -]PI-STAR STATES
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1981,
2
(02)
: 200
-
206
[4]
MOLECULAR-ORBITAL THEORY OF THE HYDROGEN-BOND .24. GROUND-STATE WATER-URACIL COMPLEXES
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1981,
2
(02)
: 188
-
199
[5]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .12. AMIDE HYDROGEN-BONDING IN FORMAMIDE-WATER AND FORMAMIDE-FORMALDEHYDE SYSTEMS
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
DELBENE, JE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(05)
: 1961
-
1970
[6]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .16. COMPARATIVE-STUDY OF PYRIDINE AND DIAZINES AS PROTON ACCEPTORS IN GROUND AND EXCITED N-] PI] STATES
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
DELBENE, JE
[J].
CHEMICAL PHYSICS,
1976,
15
(03)
: 463
-
472
[7]
DELBENE JE, UNPUB J PHYS CHEM
[8]
A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
POWELL, MJD
论文数:
0
引用数:
0
h-index:
0
POWELL, MJD
[J].
COMPUTER JOURNAL,
1963,
6
(02)
: 163
-
&
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
[10]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .5. AB-INITIO CALCULATION EQUILIBRIUM GEOMETRIES AND QUADRATIC FORCE CONSTANTS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(08)
: 4064
-
&
←
1
2
→
共 13 条
[1]
A THEORETICAL-STUDY ON THE WATER-STRUCTURE FOR NUCLEIC-ACIDS BASES AND BASE-PAIRS IN SOLUTION AT T=300-K
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
机构:
GUIDO DONEGANI SPA, IST RIC, I-28100 NOVARA, ITALY
GUIDO DONEGANI SPA, IST RIC, I-28100 NOVARA, ITALY
CLEMENTI, E
CORONGIU, G
论文数:
0
引用数:
0
h-index:
0
机构:
GUIDO DONEGANI SPA, IST RIC, I-28100 NOVARA, ITALY
GUIDO DONEGANI SPA, IST RIC, I-28100 NOVARA, ITALY
CORONGIU, G
[J].
JOURNAL OF CHEMICAL PHYSICS,
1980,
72
(07)
: 3979
-
3992
[2]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS
COLLINS, JB
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(12)
: 5142
-
5151
[3]
MOLECULAR-ORBITAL THEORY OF THE HYDROGEN-BOND .25. WATER-URACIL COMPLEXES IN EXCITED N -]PI-STAR STATES
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1981,
2
(02)
: 200
-
206
[4]
MOLECULAR-ORBITAL THEORY OF THE HYDROGEN-BOND .24. GROUND-STATE WATER-URACIL COMPLEXES
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
DELBENE, JE
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1981,
2
(02)
: 188
-
199
[5]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .12. AMIDE HYDROGEN-BONDING IN FORMAMIDE-WATER AND FORMAMIDE-FORMALDEHYDE SYSTEMS
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
DELBENE, JE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
62
(05)
: 1961
-
1970
[6]
MOLECULAR-ORBITAL THEORY OF HYDROGEN-BOND .16. COMPARATIVE-STUDY OF PYRIDINE AND DIAZINES AS PROTON ACCEPTORS IN GROUND AND EXCITED N-] PI] STATES
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
DELBENE, JE
[J].
CHEMICAL PHYSICS,
1976,
15
(03)
: 463
-
472
[7]
DELBENE JE, UNPUB J PHYS CHEM
[8]
A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
POWELL, MJD
论文数:
0
引用数:
0
h-index:
0
POWELL, MJD
[J].
COMPUTER JOURNAL,
1963,
6
(02)
: 163
-
&
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
[10]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .5. AB-INITIO CALCULATION EQUILIBRIUM GEOMETRIES AND QUADRATIC FORCE CONSTANTS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(08)
: 4064
-
&
←
1
2
→