Solid-state nuclear magnetic resonance: Performance of point-charge distributions to model intermolecular effects in 19 F chemical shifts

Mostrar todas las versiones(2)

This contribution presents results from applying two different charge models to take into account intermolecular interactions to model the solid-state effects on the 19 F NMR chemical-shift tensors. The density functional theory approach with the B3LYP gradient-corrected exchange correlation functio...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Solís, D., Ferraro, M.B.
Formato:	JOUR
Materias:	Charge models Chemical-shift tensors Solid-state effects
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_1432881X_v104_n3-4_p323_Solis
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

Ejemplares similares

Solid-state nuclear magnetic resonance: Performance of point-charge distributions to model intermolecular effects in 19 F chemical shifts
Publicado: (2000)

Modeling NMR chemical shifts: A comparison of charge models for solid state effects on 15 N chemical shift tensors
por: Ferraro, M.B., et al.

Modeling NMR chemical shifts: A comparison of charge models for solid state effects on 15 N chemical shift tensors
por: Ferraro, Marta Beatriz, et al.
Publicado: (1998)

Solid-state nuclear magnetic resonance: Performance of point-charge distributions to model intermolecular effects in 19 F chemical shifts
por: Solís, D.
Publicado: (2000)

Modeling NMR chemical shifts: Surface charge representation of the electrostatic embedding potential modeling of crystalline intermolecular effects in 19 F solid state NMR chemical shifts
por: Solís, D., et al.

Modeling NMR chemical shifts: Crystal potential derived point charge (CPPCh) model to calculate solid state effects on 31 P chemical shifts tensors
por: Schneider, D.M., et al.

Modeling NMR chemical shifts: Surface charge representation of the electrostatic embedding potential modeling of crystalline intermolecular effects in 19 F solid state NMR chemical shifts
por: Solis, Diego, et al.
Publicado: (2002)

Space charge conduction in solids /
por: Tredgold, R. H.
Publicado: (1966)

Modeling NMR chemical shifts: Crystal potential derived point charge (CPPCh) model to calculate solid state effects on 31 P chemical shifts tensors
Publicado: (2000)

Nonlinear response of the benzene molecule to strong magnetic fields
por: Pagola, G.I., et al.
Publicado: (2005)

Nonlinear response of the benzene molecule to strong magnetic fields
por: Pagola, G.I., et al.

Nonlinear response of the benzene molecule to strong magnetic fields
por: Pagola, G.I., et al.
Publicado: (2005)

Charge density waves in solids /
Publicado: (1989)

Nonlinear response of the benzene molecule to strong magnetic fields
por: Pagola, Gabriel Ignacio, et al.
Publicado: (2005)

Charge density waves in solids : proceedings of the international conference held in Budapest, Hungary, September 3-7, 1984 /
Publicado: (1985)

Spin temperature and nuclear magnetic resonance in solids /
por: Goldman, M. (Maurice), 1933-
Publicado: (1970)

Nuclear magnetic resonance and relaxation in solids ; proceedings of the XIIIth Colloque Ampère, University of Leuven, 1-5 September, 1964 /
Publicado: (1965)

Phonons and resonances in solids /
por: Di Bartolo, Baldassare
Publicado: (1976)

The electrical and magnetic properties of solids : an introductory textbook. /
por: Cusack, N.
Publicado: (1958)

Modeling NMR chemical shifts: Surface charge representation of the electrostatic embedding potential modeling of crystalline intermolecular effects in 19 F solid state NMR chemical shifts
por: Solís, D.
Publicado: (2002)

Introduction to the magnetic properties of solids /
por: Chakravarty, A. S. (Ardhendu Sekhar), 1931-
Publicado: (1980)

Modeling solid-state effects on NMR chemical shifts using electrostatic models
por: Di Fiori, N., et al.

Magnetic interactions in solids /
por: Zeiger, H. J. (Herbert Jack)
Publicado: (1973)

Qualitative study of substituent effects on NMR15N and 17O chemical shifts
por: Contreras, Rubén Horacio, et al.
Publicado: (2009)

Qualitative study of substituent effects on NMR15N and 17O chemical shifts
por: Contreras, R.H., et al.

Modeling solid-state effects on NMR chemical shifts using electrostatic models
por: Caputo, María Cristina, et al.
Publicado: (2004)

Use of an internal reference in 13C chemical shift measurements
por: Marceca, Ernesto Jose
Publicado: (1990)

Use of an internal reference in 13C chemical shift measurements
por: de Kowalewski, D.G., et al.

Interactions in magnetically ordered solids /
por: Sinha, K. P. (Krityunjai Prasad), 1929-
Publicado: (1980)

Vowel shifts in Middle Wichi (Mataguayan, South America)
por: Nercesian, Verónica, et al.
Publicado: (2023)

Description of the gauge invariance of molecular magnetic properties of the SF6 molecule
por: Caputo, M.C., et al.

Solid-state imaging with charge-coupled devices /
por: Theuwissen, Albert J. P.
Publicado: (1995)

Theory of charge exchange /
por: Mapleton, Robert A.
Publicado: (1972)

Chemical physics of solids and their surfaces /
Publicado: (1980)

From NMR spectra to structure
por: Facelli, J.C., et al.

Stereoelectronic interactions and molecular properties. An NBO-based study of uracil
por: Sproviero, Eduardo Marcelo, et al.
Publicado: (2003)

Stereoelectronic interactions and molecular properties. An NBO-based study of uracil
por: Sproviero, E.M., et al.

Longitudinal momentum distributions in ionization of helium by fast, highly charged projectiles
Publicado: (1995)

Longitudinal momentum distributions in ionization of helium by fast, highly charged projectiles
por: Rodriguez, V.D., et al.

Rho-nucleon tensor coupling and charge-exchange resonances
por: De Conti, C., et al.
Publicado: (2000)