Effects of a static electric field on molecular magnetic properties employing the CTOCD method: Shielding polarizabilities of CO, H2O, and CH4 compounds

Mostrar todas las versiones(2)

A procedure based on formal annihilation of the diamagnetic contribution to the quantum mechanical electron current density, via a continuos transformation of its origin all over the molecular domain, CTOCD-DZ method, is applied for determining shielding polarizabilities to first order in a perturbi...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ferraro, Marta Beatriz, Caputo, María Cristina, Ridruejo, Cecilia Maria
Publicado:	1999
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00976156_v732_n_p79_Ferraro http://hdl.handle.net/20.500.12110/paper_00976156_v732_n_p79_Ferraro
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

Ejemplares similares

Effects of a static electric field on molecular magnetic properties employing the CTOCD method: Shielding polarizabilities of CO, H2O, and CH4 compounds
por: Ferraro, M.B., et al.

Effects of a static electric field on molecular magnetic properties employing the CTOCD method: Shielding polarizabilities of CO, H2O, and CH4 compounds
por: Ferraro, Marta Beatriz
Publicado: (1999)

Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules
por: Ferraro, Marta Beatriz, et al.
Publicado: (2008)

CTOCD-DZ shielding polarizabilities in a set of small molecules: N2, H2, HF, HCL, HCN and SH2
por: Caputo, M.C., et al.

Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules
por: Ferraro, M.B., et al.
Publicado: (2008)

Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules
por: Ferraro, M.B., et al.

Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules
por: Ferraro, M.B., et al.
Publicado: (2008)

CTOCD-DZ shielding polarizabilities in a set of small molecules: N2, H2, HF, HCL, HCN and SH2
por: Caputo, María Cristina, et al.
Publicado: (2000)

CTOCD-DZ shielding polarizabilities in a set of small molecules: N2, H2, HF, HCL, HCN and SH2
por: Caputo, M.C
Publicado: (2000)

Calculation of dipole-shielding polarizabilities (σ αβγI): The influence of uniform electric field effects on the shielding of backbone nuclei in proteins
por: Ferraro, Marta Beatriz
Publicado: (2003)

Calculation of dipole-shielding polarizabilities (σ αβγI): The influence of uniform electric field effects on the shielding of backbone nuclei in proteins
por: Boyd, J., et al.

Calculation of dipole-shielding polarizabilities (σ αβγI): The influence of uniform electric field effects on the shielding of backbone nuclei in proteins
por: Boyd, J.
Publicado: (2003)

Resolution of molecular polarizabilities of CH3-X and CH3-CH2-X derivatives into atomic terms
por: Zitto, Miguel Eduardo, et al.
Publicado: (2001)

Resolution of molecular polarizabilities of CH3-X and CH3-CH2-X derivatives into atomic terms
por: Zitto, M.E., et al.
Publicado: (2001)

Resolution of molecular polarizabilities of CH3-X and CH3-CH2-X derivatives into atomic terms
por: Zitto, M.E., et al.

Resolution of molecular polarizabilities of CH3-X and CH3-CH2-X derivatives into atomic terms
por: Zitto, M.E., et al.
Publicado: (2001)

Calculation of hypershielding contribution to isotropic nitrogen shielding in strong magnetic fields
por: Pagola, Gabriel Ignacio, et al.
Publicado: (2009)

On the theoretical determination of the static dipole polarizability of intermediate size silicon clusters
por: Bazterra, V.E., et al.

Ab initio calculations of magnetic susceptibilities on HF, H2O, CH4 and NH3 compounds employing the Geertsen's gauge independent method
por: Ferraro, Marta Beatriz, et al.
Publicado: (1995)

Ab initio calculations of magnetic susceptibilities on HF, H2O, CH4 and NH3 compounds employing the Geertsen's gauge independent method
por: Ferraro, M.B., et al.

Calculation of hypershielding contribution to isotropic nitrogen shielding in strong magnetic fields
por: Boyd, J., et al.

Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field
por: Caputo, María Cristina, et al.
Publicado: (1996)

Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX′ (X, X′ H, CH3) with lithium cation and their chiral discrimination
por: Pagola, Gabriel Ignacio, et al.
Publicado: (2011)

Ab initio calculations of magnetic susceptibilities on HF, H2O, CH4 and NH3 compounds employing the Geertsen's gauge independent method
por: Ferraro, Marta Beatriz
Publicado: (1995)

Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields
por: Caputo, María Cristina, et al.
Publicado: (1994)

Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field
por: Caputo, M.C., et al.

Electric and magnetic fields /
por: Attwood, Stephen S.
Publicado: (1958)

Electric and magnetic fields /
por: Tomboulian, D. H.
Publicado: (1965)

Electric and magnetic fields /
por: Attwood, Stephen S., et al.
Publicado: (1967)

Electric and magnetic fields
por: Attwood, Stephen S.
Publicado: (1941)

Ab initio ‘CLOPPA’ decomposition of the static molecular polarizability tensor
por: Giribet, Claudia Gloria, et al.
Publicado: (1997)

Ab initio ‘CLOPPA’ decomposition of the static molecular polarizability tensor
por: Giribet, C.G., et al.

Ab initio ‘CLOPPA’ decomposition of the static molecular polarizability tensor
por: Giribet, C.G
Publicado: (1997)

Magnetic properties of transition metal compounds /
por: Carlin, Richard L. (Richard Lewis), 1935-
Publicado: (1977)

Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX′ (X, X′ H, CH3) with lithium cation and their chiral discrimination
por: Alkorta, I., et al.
Publicado: (2011)

Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX′ (X, X′ H, CH3) with lithium cation and their chiral discrimination
por: Alkorta, I., et al.

Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX′ (X, X′ H, CH3) with lithium cation and their chiral discrimination
por: Alkorta, I., et al.
Publicado: (2011)

Theoretical study of the magnetic properties of an SF6 molecule in non-uniform magnetic field
por: Caputo, M.C., et al.

Electricity and magnetism : static electricity and magnetism
por: Poyntig, J. H.
Publicado: (1924)

Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field
por: Caputo, María Cristina
Publicado: (1996)