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ACCURATE SCF CALCULATION FOR AMMONIA AND ITS INVERSION MOTION
被引:100
作者
:
STEVENS, RM
论文数:
0
引用数:
0
h-index:
0
STEVENS, RM
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1971年
/ 55卷
/ 04期
关键词
:
D O I
:
10.1063/1.1676303
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:1725 / &
相关论文
共 17 条
[1]
VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA
BENEDICT, WS
论文数:
0
引用数:
0
h-index:
0
BENEDICT, WS
PLYLER, EK
论文数:
0
引用数:
0
h-index:
0
PLYLER, EK
[J].
CANADIAN JOURNAL OF PHYSICS,
1957,
35
(10)
: 1235
-
1241
[2]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
HUO, WM
论文数:
0
引用数:
0
h-index:
0
HUO, WM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(02)
: 614
-
&
[3]
SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMS
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(07)
: 1944
-
&
[4]
KARI RE, UNPUBLISHED
[5]
LAWS EA, UNPUBLISHED
[6]
Energy levels of a symmetrical double minima problem with applications to the NH3 and ND3 molecules
Manning, MF
论文数:
0
引用数:
0
h-index:
0
机构:
Massachusetts Inst Technol, Dept Phys, Boston, MA USA
Massachusetts Inst Technol, Dept Phys, Boston, MA USA
Manning, MF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1935,
3
(03)
: 136
-
138
[7]
THEORETICAL ANALYSIS OF ELECTRONIC STRUCTURE AND MOLECULAR PROPERTIES OF ALKALI HALIDES .6. RUBIDIUM FLUORIDE AND SODIUM BROMIDE
MATCHA, RL
论文数:
0
引用数:
0
h-index:
0
MATCHA, RL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
: 4490
-
+
[8]
POTENTIAL FUNCTION FOR INVERSION PROCESS OF AMMONIA
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
MOCCIA, R
RANDACCIO, L
论文数:
0
引用数:
0
h-index:
0
RANDACCIO, L
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(11)
: 4303
-
+
[9]
Ab initio calculation of the inversion barrier in ammonia
Pipano, A.
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Mem Inst, Columbus, OH 43201 USA
Battelle Mem Inst, Columbus, OH 43201 USA
Pipano, A.
Gilman, R. R.
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Mem Inst, Columbus, OH 43201 USA
Battelle Mem Inst, Columbus, OH 43201 USA
Gilman, R. R.
Bender, C. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Mem Inst, Columbus, OH 43201 USA
Battelle Mem Inst, Columbus, OH 43201 USA
Bender, C. F.
Shavitt, I.
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Mem Inst, Columbus, OH 43201 USA
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Battelle Mem Inst, Columbus, OH 43201 USA
Shavitt, I.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
4
(09)
: 583
-
584
[10]
ELECTRONIC STRUCTURE AND INVERSION BARRIER OF AMMONIA
RAUK, A
论文数:
0
引用数:
0
h-index:
0
RAUK, A
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(08)
: 4133
-
&
←
1
2
→
共 17 条
[1]
VIBRATION-ROTATION BANDS OF AMMONIA .2. THE MOLECULAR DIMENSIONS AND HARMONIC FREQUENCIES OF AMMONIA AND DEUTERATED AMMONIA
BENEDICT, WS
论文数:
0
引用数:
0
h-index:
0
BENEDICT, WS
PLYLER, EK
论文数:
0
引用数:
0
h-index:
0
PLYLER, EK
[J].
CANADIAN JOURNAL OF PHYSICS,
1957,
35
(10)
: 1235
-
1241
[2]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
HUO, WM
论文数:
0
引用数:
0
h-index:
0
HUO, WM
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(02)
: 614
-
&
[3]
SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST- + SECOND-ROW ATOMS
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1964,
40
(07)
: 1944
-
&
[4]
KARI RE, UNPUBLISHED
[5]
LAWS EA, UNPUBLISHED
[6]
Energy levels of a symmetrical double minima problem with applications to the NH3 and ND3 molecules
Manning, MF
论文数:
0
引用数:
0
h-index:
0
机构:
Massachusetts Inst Technol, Dept Phys, Boston, MA USA
Massachusetts Inst Technol, Dept Phys, Boston, MA USA
Manning, MF
[J].
JOURNAL OF CHEMICAL PHYSICS,
1935,
3
(03)
: 136
-
138
[7]
THEORETICAL ANALYSIS OF ELECTRONIC STRUCTURE AND MOLECULAR PROPERTIES OF ALKALI HALIDES .6. RUBIDIUM FLUORIDE AND SODIUM BROMIDE
MATCHA, RL
论文数:
0
引用数:
0
h-index:
0
MATCHA, RL
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
: 4490
-
+
[8]
POTENTIAL FUNCTION FOR INVERSION PROCESS OF AMMONIA
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
MOCCIA, R
RANDACCIO, L
论文数:
0
引用数:
0
h-index:
0
RANDACCIO, L
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(11)
: 4303
-
+
[9]
Ab initio calculation of the inversion barrier in ammonia
Pipano, A.
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Mem Inst, Columbus, OH 43201 USA
Battelle Mem Inst, Columbus, OH 43201 USA
Pipano, A.
Gilman, R. R.
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Mem Inst, Columbus, OH 43201 USA
Battelle Mem Inst, Columbus, OH 43201 USA
Gilman, R. R.
Bender, C. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Mem Inst, Columbus, OH 43201 USA
Battelle Mem Inst, Columbus, OH 43201 USA
Bender, C. F.
Shavitt, I.
论文数:
0
引用数:
0
h-index:
0
机构:
Battelle Mem Inst, Columbus, OH 43201 USA
Ohio State Univ, Dept Chem, Columbus, OH 43210 USA
Battelle Mem Inst, Columbus, OH 43201 USA
Shavitt, I.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
4
(09)
: 583
-
584
[10]
ELECTRONIC STRUCTURE AND INVERSION BARRIER OF AMMONIA
RAUK, A
论文数:
0
引用数:
0
h-index:
0
RAUK, A
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(08)
: 4133
-
&
←
1
2
→