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C. Van Alsenoy

Veröffentlichungen von C. Van Alsenoy zu Van Alsenoy, C.. ->
weitere Veröffentlichungen von C. Van Alsenoy:
Ab initio calculations on large molecules: The multiplicative integral approximation (1988)
brabo: a program for ab initio studies on large molecular systems (1993)
A relation between ^7^3Ge chemical shifts and CNDO/2 charges in tetrahalogenogermanes (1976)
Ab Initio studies of structural features not easily amenable to experiment - Part 72. Structural study of 1,4-diazabicyclo[2.2.2]octane and the empirical correction of 4-21 G C-N bond lengths (1990)
Ab initio studies of structural features not easily amenable to experiment - Part 31. Conformational analysis and molecular structures of ethylene glycol (1984)
Structure determination of gaseous norbornane by electron diffraction, microwave, Raman, and infrared spectroscopy. Molecular mechanics and ab initio calculations with complete geometry relaxation (1983)
Conformational and structural analysis of methyl hydrazinocarboxylate by microwave spectroscopy and ab initio geometry refinements (1986)
Rotational invariance of INDO theories including d-orbitals into the basis set (1977)
Ab initio studies of structural features not easily amenable to experiment. 17. The molecular structures of some strained cyclic hydrocarbons and estimates of their strain energies (1982)
The gradient-optimized geometry of haloperidol at the 4-21G level (1989)
Ab initio studies of structural features not easily amenable to experiment - Part 62. The 4-21G optimized structure of the steroid, 4,4-dimethylandrostan-3-one (1988)
Ab initio studies of structural features not easily amenable to experiment - Part 24. Molecular structures and conformational analyses of the methyl esters of formic acid, acetic acid and alanine (1982)
Ab initio studies of structural features not easily amenable to experiment - Part 37. Structural and conformational investigations of the dicarbonyls glyoxal, biacetyl and oxalic acid (1984)
Estimates for systematic empirical corrections of consistent 4-21G ab initio geometries and their correlations to total energy group increments (1982)
Ab initio studies of structural features not easily amenable to experiment - Part 16. Some characteristic structural aspects of non-cyclic hydrocarbons (1982)
Veröffentlichungen zu Van Alsenoy, C..
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1
Van Alsenoy, C.. Ab initio calculations on large molecules: The multiplicative integral approximation
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 9 (6. 1988), p. 620-626
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1988
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2
Van Alsenoy, C., Peeters, A. brabo: a program for ab initio studies on large molecular systems
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 286 (1993), p. 19-34
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1993
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3
Geerlings, P., Van Alsenoy, C. A relation between ^7^3Ge chemical shifts and CNDO/2 charges in tetrahalogenogermanes
in: Journal of Organometallic Chemistry, in: Journal of Organometallic Chemistry . - Amsterdam : Elsevier, ISSN 0022-328X, ZDB-ID 1491530-3 Vol. 117, No. 1 (1976), p. 13-15
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1976
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4
Siam, K., Van Alsenoy, C., ... Ab Initio studies of structural features not easily amenable to experiment - Part 72. Structural study of 1,4-diazabicyclo[2.2.2]octane and the empirical correction of 4-21 G...
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 209, No. 3-4 (1990), p. 387-398
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1990
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5
Van Alsenoy, C., Van Den Enden, L., ... Ab initio studies of structural features not easily amenable to experiment - Part 31. Conformational analysis and molecular structures of ethylene glycol
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 108, No. 1-2 (1984), p. 121-128
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1984
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6
Doms, L.. Structure determination of gaseous norbornane by electron diffraction, microwave, Raman, and infrared spectroscopy. Molecular mechanics and ab initio calculations with complete...
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 105, No. 2 (1983), p. 158-162
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1983
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7
Caminati, W.. Conformational and structural analysis of methyl hydrazinocarboxylate by microwave spectroscopy and ab initio geometry refinements
In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 108, No. 15 (1986), p. 4364-4367
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1986
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8
Figeys, H. P.., Geerlings, P.., ... Rotational invariance of INDO theories including d-orbitals into the basis set
in: International Journal of Quantum Chemistry, in: International Journal of Quantum Chemistry . - New York, NY : Wiley, ISSN 0020-7608, ZDB-ID 1475014-4 Vol. 11 (5. 1977), p. 705-713
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1977
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9
Van Alsenoy, C.., Scarsdale, J. N.., ... Ab initio studies of structural features not easily amenable to experiment. 17. The molecular structures of some strained cyclic hydrocarbons and estimates of their strain energies
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 3 (1. 1982), p. 53-61
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1982
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10
Van Alsenoy, C.., Lenstra, A. T. H.., ... The gradient-optimized geometry of haloperidol at the 4-21G level
in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 10 (3. 1989), p. 302-308
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1989
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11
van Alsenoy, C., Wolinski, K., ... Ab initio studies of structural features not easily amenable to experiment - Part 62. The 4-21G optimized structure of the steroid, 4,4-dimethylandrostan-3-one
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 180 (1988), p. 343-352
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1988
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12
Van Alsenoy, C., Scarsdale, J.N., ... Ab initio studies of structural features not easily amenable to experiment - Part 24. Molecular structures and conformational analyses of the methyl esters of formic acid,...
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 90, No. 3-4 (1982), p. 297-304
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1982
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13
Van Alsenoy, C., Klimkowski, V.J., ... Ab initio studies of structural features not easily amenable to experiment - Part 37. Structural and conformational investigations of the dicarbonyls glyoxal, biacetyl and...
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 109, No. 3-4 (1984), p. 321-330
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1984
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14
Schafer, L., Van Alsenoy, C., ... Estimates for systematic empirical corrections of consistent 4-21G ab initio geometries and their correlations to total energy group increments
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 86, No. 4 (1982), p. 349-364
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1982
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15
Scarsdale, J.N., Van Alsenoy, C., ... Ab initio studies of structural features not easily amenable to experiment - Part 16. Some characteristic structural aspects of non-cyclic hydrocarbons
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 86, No. 3 (1982), p. 277-284
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1982
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16
van Alsenoy, C., Williams, J.O., ... Ab initio studies of structural features not easily amenable to experiment - Part 7. Molecular structure and conformational analysis of urea and carbamic acid
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 76, No. 2 (1981), p. 179-185
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1981
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17
Williams, J.O., van Alsenoy, C., ... Ab initio studies of structural features not easily amenable to experiment - Part 6. Quantitative estimate of the effect of bond delocalization on structure and...
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 76, No. 2 (1981), p. 171-177
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1981
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18
Williams, J.O., Van Alsenoy, C., ... Ab initio studies of structural features not easily amenable to experiment - Part IV. Molecular structure and conformational analysis of carbonic acid
in: Journal of Molecular Structure: THEOCHEM, in: Journal of Molecular Structure: THEOCHEM . - Amsterdam : Elsevier, ISSN 0166-1280, ZDB-ID 1491514-5 Vol. 76, No. 1 (1981), p. 109-112
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1981
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19
Van Alsenoy, C., Williams, J.O., ... AB initio studies of structural features not easily amenable to experiment - Part 7. Molecular structure and conformational analysis of urea and carbamic acid
in: Journal of Molecular Structure, in: Journal of Molecular Structure . - Amsterdam : Elsevier, ISSN 0022-2860, ZDB-ID 1491504-2 Vol. 76, No. 2 (1981), p. 179-185
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1981
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20
Schafer, L., Van Alsenoy, C., ... Estimates for systematic empirical corrections of consistent 4-21g ab initio geometries and their correlations to total energy group increments
in: Journal of Molecular Structure, in: Journal of Molecular Structure . - Amsterdam : Elsevier, ISSN 0022-2860, ZDB-ID 1491504-2 Vol. 86, No. 4 (1982), p. 349-364
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ähnliche Vorschläge
1982