Calculated inversion barrier of AsF"3
The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to...
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E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1980 |
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| Reproduktion: |
Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 |
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| Übergeordnetes Werk: |
in: Chemical Physics Letters - Amsterdam : Elsevier, 71(1980), 1, Seite 101-103 |
| Übergeordnetes Werk: |
volume:71 ; year:1980 ; number:1 ; pages:101-103 |
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| 520 | |a The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. | ||
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(DE-627)NLEJ173828930 (DE-599)GBVNLZ173828930 DE-627 ger DE-627 rakwb eng Calculated inversion barrier of AsF"3 1980 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Marynick, D.S. oth in Chemical Physics Letters Amsterdam : Elsevier 71(1980), 1, Seite 101-103 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:71 year:1980 number:1 pages:101-103 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(80)85298-5 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 71 1980 1 101-103 |
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(DE-627)NLEJ173828930 (DE-599)GBVNLZ173828930 DE-627 ger DE-627 rakwb eng Calculated inversion barrier of AsF"3 1980 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Marynick, D.S. oth in Chemical Physics Letters Amsterdam : Elsevier 71(1980), 1, Seite 101-103 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:71 year:1980 number:1 pages:101-103 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(80)85298-5 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 71 1980 1 101-103 |
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(DE-627)NLEJ173828930 (DE-599)GBVNLZ173828930 DE-627 ger DE-627 rakwb eng Calculated inversion barrier of AsF"3 1980 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Marynick, D.S. oth in Chemical Physics Letters Amsterdam : Elsevier 71(1980), 1, Seite 101-103 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:71 year:1980 number:1 pages:101-103 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(80)85298-5 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 71 1980 1 101-103 |
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(DE-627)NLEJ173828930 (DE-599)GBVNLZ173828930 DE-627 ger DE-627 rakwb eng Calculated inversion barrier of AsF"3 1980 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Marynick, D.S. oth in Chemical Physics Letters Amsterdam : Elsevier 71(1980), 1, Seite 101-103 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:71 year:1980 number:1 pages:101-103 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(80)85298-5 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 71 1980 1 101-103 |
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(DE-627)NLEJ173828930 (DE-599)GBVNLZ173828930 DE-627 ger DE-627 rakwb eng Calculated inversion barrier of AsF"3 1980 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. Elsevier Journal Backfiles on ScienceDirect 1907 - 2002 Marynick, D.S. oth in Chemical Physics Letters Amsterdam : Elsevier 71(1980), 1, Seite 101-103 (DE-627)NLEJ17363009X (DE-600)1466293-0 0009-2614 nnns volume:71 year:1980 number:1 pages:101-103 http://linkinghub.elsevier.com/retrieve/pii/0009-2614(80)85298-5 GBV_USEFLAG_H ZDB-1-SDJ GBV_NL_ARTICLE AR 71 1980 1 101-103 |
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calculated inversion barrier of asf"3 |
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Calculated inversion barrier of AsF"3 |
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The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. |
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The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. |
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The inversion barrier of AsF"3 has been calculated using SCF theory with a moderately large basis set of Slater type orbitals, including polarization functions on the central atom. The calculated barrier is ~ 112 kcalmole. The highest occupied molecular orbital in planar AsF"3 is shown to have A'"1 symmetry, rather than A''"2 symmetry typical for molecules of this type. |
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Calculated inversion barrier of AsF"3 |
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