TENSOR: A Program to Extract Hyperfine Tensors from Single Crystal EPR and ENDOR Data (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• TENSOR: A Program to Extract Hyperfine Tensors from Single Crystal EPR and ENDOR Data (Articolo in rivista) (literal)

Anno

• 1992-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1016/0097-8485(92)80008-N (literal)

Alternative label

• A. Ponti, C. Oliva (1992)
  TENSOR: A Program to Extract Hyperfine Tensors from Single Crystal EPR and ENDOR Data
  in Computers & chemistry
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• A. Ponti, C. Oliva (literal)

Pagina inizio

• 233 (literal)

Pagina fine

• 238 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 16 (literal)

Rivista

• Computers & chemistry (Rivista)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Dipartimento di Chimica Fisica ed Elettrochimica e Centro C.N.R. per lo Studio delle Reladoni tra Struttura e Reattivita' Chimica, Universita' di Milano, via Golgi 19, I-20133 Milano, Italy (literal)

Titolo

• TENSOR: A Program to Extract Hyperfine Tensors from Single Crystal EPR and ENDOR Data (literal)

Abstract

• A program to determine hyperfme tensors from EPR or ENDOR single crystal data is described. The variation of hyperfine interaction upon rotating the crystal with respect to the static field is studied by a least-squares algorithm which affords various weighting methods. These take into account the fact that the model equations are not linear in the variables, so that equal measurement errors affect the calculation to different extents. An iterative procedure is available which accounts for experimental uncertainty in both dependent and independent variables. Fitting parameters arc then cast into a matrix form of tensors. These are diagonalized by a Householder transform followed by application of Sturrn bisection algorithm. This procedure is very accurate and matrix inversion is not needed. Extensive error analysis is performed and error propagation is followed throughout the calculation. The standard error of tensor eigenvalues and eigenvectors is estimated. TENSOR features a friendly menu-guided user interface, a data editor, a file manager and routines for printing and plotting. (literal)

Prodotto di

• Institute of molecular science and technologies (ISTM) (Istituto)
• Sistemi funzionali a nanoparticelle magnetiche (PM.P04.009.001) (Modulo)

Autore CNR

• ALESSANDRO PONTI (Persona)

Incoming links:

Prodotto

• Institute of molecular science and technologies (ISTM) (Istituto)
• Sistemi funzionali a nanoparticelle magnetiche (PM.P04.009.001) (Modulo)

Autore CNR di

• ALESSANDRO PONTI (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Computers & chemistry (Rivista)