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THEORETICAL-STUDY OF MAGNETIC-SUSCEPTIBILITIES OF SMALL MOLECULES BY SCF-LCAO-MO-MINDO-3 METHOD
被引:2
作者
:
PANDEY, PKK
论文数:
0
引用数:
0
h-index:
0
PANDEY, PKK
CHANDRA, P
论文数:
0
引用数:
0
h-index:
0
CHANDRA, P
机构
:
来源
:
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE
|
1980年
/ 58卷
/ 08期
关键词
:
D O I
:
10.1139/v80-119
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:767 / 771
页数:5
相关论文
共 30 条
[1]
MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .2. PROTON MAGNETIC SHIELDING CONSTANTS IN H2O, NH3, CH4, AND CH3F
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
ARRIGHINI, GP
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
MAESTRO, M
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
MOCCIA, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(12)
: 6411
-
+
[2]
MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .I. MAGNETIC SUSCEPTIBILITY OF H2O,NH3, CH4, H2O2
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
ARRIGHINI, GP
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
MAESTRO, M
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
MOCCIA, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(02)
: 882
-
+
[3]
ARRIGHINI GP, 1970, CHEM PHYS LETT, V1, P351
[4]
DIAMAGNETIC SUSCEPTIBILITIES OF SIMPLE HYDROCARBONS AND VOLATILE HYDRIDES
BARTER, C
论文数:
0
引用数:
0
h-index:
0
BARTER, C
MEISENHEIMER, RG
论文数:
0
引用数:
0
h-index:
0
MEISENHEIMER, RG
STEVENSON, DP
论文数:
0
引用数:
0
h-index:
0
STEVENSON, DP
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1960,
64
(09)
: 1312
-
1316
[5]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[6]
APPROXIMATE CALCULATION OF DIAMAGNETIC SUSCEPTIBILITIES
BLEY, WR
论文数:
0
引用数:
0
h-index:
0
机构:
Physikalisches Institut der Karl-Marx-Universität, Leipzig
BLEY, WR
[J].
MOLECULAR PHYSICS,
1969,
16
(03)
: 303
-
&
[7]
APPROXIMATION CALCULATION OF DIAMAGNETIC SUSCEPTIBILITIES .2. LOCAL AND NONLOCAL CONTRIBUTIONS
BLEY, WR
论文数:
0
引用数:
0
h-index:
0
BLEY, WR
[J].
MOLECULAR PHYSICS,
1971,
20
(03)
: 491
-
&
[8]
SELF-CONSISTENT MOLECULAR ORBITAL CALCULTIONS ON PI-ELECTRON SYSTEMS .2. DIAMAGNETIC SUSCEPTIBILITIES
DAVIES, DW
论文数:
0
引用数:
0
h-index:
0
DAVIES, DW
[J].
TRANSACTIONS OF THE FARADAY SOCIETY,
1961,
57
(12):
: 2081
-
&
[9]
VALENCY ELECTRON MOLECULAR ORBITAL CALCULATIONS .3. POLARIZABILITIES, SUSCEPTIBILITIES, AND NUCLEAR SHIELDING CONSTANTS WITH A SLIGHTLY EXTENDED BASIS SET
DAVIES, DW
论文数:
0
引用数:
0
h-index:
0
DAVIES, DW
[J].
MOLECULAR PHYSICS,
1971,
20
(04)
: 605
-
&
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .7. CONVERGENCE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS IN CALCULATIONS OF FIRST-ORDER AND SECOND-ORDER PROPERTIES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
MILLER, DP
论文数:
0
引用数:
0
h-index:
0
MILLER, DP
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(02)
: 613
-
+
←
1
2
3
→
共 30 条
[1]
MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .2. PROTON MAGNETIC SHIELDING CONSTANTS IN H2O, NH3, CH4, AND CH3F
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
ARRIGHINI, GP
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
MAESTRO, M
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
MOCCIA, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(12)
: 6411
-
+
[2]
MAGNETIC PROPERTIES OF POLYATOMIC MOLECULES .I. MAGNETIC SUSCEPTIBILITY OF H2O,NH3, CH4, H2O2
ARRIGHINI, GP
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
ARRIGHINI, GP
MAESTRO, M
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
MAESTRO, M
MOCCIA, R
论文数:
0
引用数:
0
h-index:
0
机构:
Centra di Chimica Teorica Del C.N.R, Istituto di Chimica Fisica, Dell'Universitè di Pisa, Pisa
MOCCIA, R
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(02)
: 882
-
+
[3]
ARRIGHINI GP, 1970, CHEM PHYS LETT, V1, P351
[4]
DIAMAGNETIC SUSCEPTIBILITIES OF SIMPLE HYDROCARBONS AND VOLATILE HYDRIDES
BARTER, C
论文数:
0
引用数:
0
h-index:
0
BARTER, C
MEISENHEIMER, RG
论文数:
0
引用数:
0
h-index:
0
MEISENHEIMER, RG
STEVENSON, DP
论文数:
0
引用数:
0
h-index:
0
STEVENSON, DP
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1960,
64
(09)
: 1312
-
1316
[5]
GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD
BINGHAM, RC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
BINGHAM, RC
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
LO, DH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
LO, DH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(06)
: 1285
-
1293
[6]
APPROXIMATE CALCULATION OF DIAMAGNETIC SUSCEPTIBILITIES
BLEY, WR
论文数:
0
引用数:
0
h-index:
0
机构:
Physikalisches Institut der Karl-Marx-Universität, Leipzig
BLEY, WR
[J].
MOLECULAR PHYSICS,
1969,
16
(03)
: 303
-
&
[7]
APPROXIMATION CALCULATION OF DIAMAGNETIC SUSCEPTIBILITIES .2. LOCAL AND NONLOCAL CONTRIBUTIONS
BLEY, WR
论文数:
0
引用数:
0
h-index:
0
BLEY, WR
[J].
MOLECULAR PHYSICS,
1971,
20
(03)
: 491
-
&
[8]
SELF-CONSISTENT MOLECULAR ORBITAL CALCULTIONS ON PI-ELECTRON SYSTEMS .2. DIAMAGNETIC SUSCEPTIBILITIES
DAVIES, DW
论文数:
0
引用数:
0
h-index:
0
DAVIES, DW
[J].
TRANSACTIONS OF THE FARADAY SOCIETY,
1961,
57
(12):
: 2081
-
&
[9]
VALENCY ELECTRON MOLECULAR ORBITAL CALCULATIONS .3. POLARIZABILITIES, SUSCEPTIBILITIES, AND NUCLEAR SHIELDING CONSTANTS WITH A SLIGHTLY EXTENDED BASIS SET
DAVIES, DW
论文数:
0
引用数:
0
h-index:
0
DAVIES, DW
[J].
MOLECULAR PHYSICS,
1971,
20
(04)
: 605
-
&
[10]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .7. CONVERGENCE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS IN CALCULATIONS OF FIRST-ORDER AND SECOND-ORDER PROPERTIES
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
MILLER, DP
论文数:
0
引用数:
0
h-index:
0
MILLER, DP
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(02)
: 613
-
+
←
1
2
3
→