Registro:
Documento: |
Artículo
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Título: | Natural bond orbitals analysis of C-H ··· O interactions in NCH/H2O and NCH/OCH2, and their effect on nuclear magnetic shielding constants |
Autor: | Peralta, J.E.; Ruiz De Azúa, M.C.; Contreras, R.H. |
Filiación: | Departamento de Física, Fac. de Ciencias Exactas y Naturales, Ciudad Universitaria, Pabellón 1, 1428 Buenos Aires, Argentina
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Palabras clave: | Bond orbitals; Oxygen atoms; Shielding constants; carbon; hydrogen; oxygen; water; article; chemical binding; chemical interaction; complex formation; energy; geometry; hydrogen bond; nuclear magnetic resonance; quantum chemistry |
Año: | 1999
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Volumen: | 491
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Número: | 1-3
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Página de inicio: | 23
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Página de fin: | 31
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DOI: |
http://dx.doi.org/10.1016/S0166-1280(99)00027-5 |
Título revista: | Journal of Molecular Structure: THEOCHEM
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Título revista abreviado: | J. Mol. Struct. THEOCHEM
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ISSN: | 01661280
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CODEN: | THEOD
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CAS: | carbon, 7440-44-0; hydrogen, 12385-13-6, 1333-74-0; oxygen, 7782-44-7; water, 7732-18-5
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v491_n1-3_p23_Peralta |
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Citas:
---------- APA ----------
Peralta, J.E., Ruiz De Azúa, M.C. & Contreras, R.H.
(1999)
. Natural bond orbitals analysis of C-H ··· O interactions in NCH/H2O and NCH/OCH2, and their effect on nuclear magnetic shielding constants. Journal of Molecular Structure: THEOCHEM, 491(1-3), 23-31.
http://dx.doi.org/10.1016/S0166-1280(99)00027-5---------- CHICAGO ----------
Peralta, J.E., Ruiz De Azúa, M.C., Contreras, R.H.
"Natural bond orbitals analysis of C-H ··· O interactions in NCH/H2O and NCH/OCH2, and their effect on nuclear magnetic shielding constants"
. Journal of Molecular Structure: THEOCHEM 491, no. 1-3
(1999) : 23-31.
http://dx.doi.org/10.1016/S0166-1280(99)00027-5---------- MLA ----------
Peralta, J.E., Ruiz De Azúa, M.C., Contreras, R.H.
"Natural bond orbitals analysis of C-H ··· O interactions in NCH/H2O and NCH/OCH2, and their effect on nuclear magnetic shielding constants"
. Journal of Molecular Structure: THEOCHEM, vol. 491, no. 1-3, 1999, pp. 23-31.
http://dx.doi.org/10.1016/S0166-1280(99)00027-5---------- VANCOUVER ----------
Peralta, J.E., Ruiz De Azúa, M.C., Contreras, R.H. Natural bond orbitals analysis of C-H ··· O interactions in NCH/H2O and NCH/OCH2, and their effect on nuclear magnetic shielding constants. J. Mol. Struct. THEOCHEM. 1999;491(1-3):23-31.
http://dx.doi.org/10.1016/S0166-1280(99)00027-5