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AN ABINITIO CALCULATION OF SPECTROSCOPIC PROPERTIES OF THE AZIDE ANION
被引:28
作者
:
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1986年
/ 85卷
/ 08期
关键词
:
D O I
:
10.1063/1.451780
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:4591 / 4593
页数:3
相关论文
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THEORETICAL INVESTIGATION OF ELECTRONIC STRUCTURE AND PROPERTIES OF N3-, N3, AND N3+
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SCF MINIMAL BASIS SET CALCULATIONS AND EXCLUSIVE ORBITALS FOR CN- HCN N3- HN3 NCO- AND HNCO
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[J].
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VIBRATIONAL FREQUENCIES FROM ANHARMONIC ABINITIO EMPIRICAL POTENTIAL-ENERGY FUNCTIONS - .3. STRETCHING VIBRATIONS OF HYDROGEN-CYANIDE AND ACETYLENES
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BOTSCHWINA, P
[J].
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INFRARED INTENSITIES OF POLYATOMIC-MOLECULES CALCULATED FROM SCEP DIPOLE-MOMENT FUNCTIONS AND ANHARMONIC VIBRATIONAL WAVEFUNCTIONS .1. STRETCHING VIBRATIONS OF THE LINEAR-MOLECULES HCN, HCP AND C2N2
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[J].
CHEMICAL PHYSICS,
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-
85
[5]
AN ABINITIO CALCULATION OF THE VIBRATIONAL FREQUENCIES OF NH2- AND ITS ISOTOPOMERS
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ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
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SALES, KD
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SALES, KD
WAHL, AC
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[J].
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[J].
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301
[9]
GROUND-STATE WAVE FUNCTIONS FOR LINEAR MOLECULES
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1961,
34
(04)
: 1468
-
&
[10]
SELF-CONSISTENT-FIELD WAVEFUNCTIONS FOR N3- AND NO2+ MOLECULES
CLEMENTI, E
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CLEMENTI, E
MCLEAN, AD
论文数:
0
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MCLEAN, AD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(02)
: 323
-
&
←
1
2
3
4
→
共 39 条
[1]
THEORETICAL INVESTIGATION OF ELECTRONIC STRUCTURE AND PROPERTIES OF N3-, N3, AND N3+
ARCHIBAL.TW
论文数:
0
引用数:
0
h-index:
0
ARCHIBAL.TW
SABIN, JR
论文数:
0
引用数:
0
h-index:
0
SABIN, JR
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(04)
: 1821
-
&
[2]
SCF MINIMAL BASIS SET CALCULATIONS AND EXCLUSIVE ORBITALS FOR CN- HCN N3- HN3 NCO- AND HNCO
BONACCOR.R
论文数:
0
引用数:
0
h-index:
0
BONACCOR.R
PETRONGO.C
论文数:
0
引用数:
0
h-index:
0
PETRONGO.C
SCROCCO, E
论文数:
0
引用数:
0
h-index:
0
SCROCCO, E
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
TOMASI, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(04)
: 1500
-
&
[3]
VIBRATIONAL FREQUENCIES FROM ANHARMONIC ABINITIO EMPIRICAL POTENTIAL-ENERGY FUNCTIONS - .3. STRETCHING VIBRATIONS OF HYDROGEN-CYANIDE AND ACETYLENES
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
[J].
CHEMICAL PHYSICS,
1982,
68
(1-2)
: 41
-
63
[4]
INFRARED INTENSITIES OF POLYATOMIC-MOLECULES CALCULATED FROM SCEP DIPOLE-MOMENT FUNCTIONS AND ANHARMONIC VIBRATIONAL WAVEFUNCTIONS .1. STRETCHING VIBRATIONS OF THE LINEAR-MOLECULES HCN, HCP AND C2N2
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
[J].
CHEMICAL PHYSICS,
1983,
81
(1-2)
: 73
-
85
[5]
AN ABINITIO CALCULATION OF THE VIBRATIONAL FREQUENCIES OF NH2- AND ITS ISOTOPOMERS
BOTSCHWINA, P
论文数:
0
引用数:
0
h-index:
0
BOTSCHWINA, P
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1986,
117
(01)
: 173
-
174
[6]
BOTSCHWINA P, UNPUB
[7]
ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .3. A HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR N2(X1SIGMAG+) AND N2+(X2SIGMAG+A 2PIU B2SIGMAU+) MOLECULAR IONS
CADE, PE
论文数:
0
引用数:
0
h-index:
0
CADE, PE
SALES, KD
论文数:
0
引用数:
0
h-index:
0
SALES, KD
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(05)
: 1973
-
&
[8]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPITZNAGEL, GW
论文数:
0
引用数:
0
h-index:
0
SPITZNAGEL, GW
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
SCHLEYER, PV
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
: 294
-
301
[9]
GROUND-STATE WAVE FUNCTIONS FOR LINEAR MOLECULES
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
[J].
JOURNAL OF CHEMICAL PHYSICS,
1961,
34
(04)
: 1468
-
&
[10]
SELF-CONSISTENT-FIELD WAVEFUNCTIONS FOR N3- AND NO2+ MOLECULES
CLEMENTI, E
论文数:
0
引用数:
0
h-index:
0
CLEMENTI, E
MCLEAN, AD
论文数:
0
引用数:
0
h-index:
0
MCLEAN, AD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1963,
39
(02)
: 323
-
&
←
1
2
3
4
→