Über eine bestimmung der peaklage von reinen und komplexen photopeaks

Mundschenk, H.

doi:10.1016/0029-554x(66)90169-8

Cited by 11 publications

(12 citation statements)

References 7 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…From the computed A , σ, and x 0 values the Gaussian profile (1) has been generated. The Q n ( x ) used here is an extension of the linearization procedure introduced by Zimmermann 77 and Mundschenk 78, 79. For all regressions presented in the sequal, 80 points ( n =40) have been considered to perform the fitting.…”

Section: Theory and Computational Detailsmentioning

confidence: 99%

Temperature effects on the UV–Vis electronic spectrum of trans‐stilbene

Kwasniewski¹,

François²,

Deleuze³

2001

Int J of Quantum Chemistry

View full text Add to dashboard Cite

ABSTRACT:The ultraviolet (UV)-Visible absorption spectrum of trans-stilbene (tS) is computed at different temperatures by couplin g molecular dynamic s (MD ) simulations with the classical MM 3 force fiel d to ZINDO/S-CI S calculation s of vertical excitation energies and transition dipol e moments. The selection of a large number of structures along the MDtrajectories enables a consistent treatment of temperature effects in the vacuum , whereas the ZINDO/S-CI S calculation s permit a reliable treatment of electron correlation and relaxation, taking account of multistat e interactions in the fina l state. Thermal motions are found to alter very differentl ythe width and shape of bands. Structural alterations such as the stretching and the torsion of the vinyl single and double bonds very stronglyinfluenc e the appearance of the fi rst valence state, pertaining to the highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO ) transition. At temperatures less than 400 K, these are found to yield a merelyGaussian and very pronounce d thermal broadenin g of the related band (A), up to nearly 30 nm, together with a minor blue shift of its maximum λ max . In contrast, a red shift by several nanometers occurs due to thermal motions for the remainin g three valence bands. As can be expected, the broadenin g intensifie s at higher temperatures, and for the A-band , becomes markedly asymmetric when T exceeds 400 K. The combinatio n of MD(MM3 ) and ZINDO/S-CIS computation s enables also consistent calculation s of hot bands, which are forbidden by symmetryat 0 K.

show abstract

Section: Theory and Computational Detailsmentioning

confidence: 99%

Temperature effects on the UV–Vis electronic spectrum of trans‐stilbene

Kwasniewski¹,

François²,

Deleuze³

2001

Int J of Quantum Chemistry

View full text Add to dashboard Cite

show abstract

“…MeV and has greatly enhanced the sensitivity for the measurement of 51 Cr, 87 Y, 7 Be, 54 Mn, 47 Ca and 42 K. The spectra of neutron activated Wl standard rock, taken 20 days after irradiation are illustrated in Figure 7.…”

Section: A Resultsmentioning

confidence: 99%

“…the standard deviations for 85 Sr, 65 Zn, 54 Mn and 86 Rb are reduced by factors of from 4 to 2.5. These spectra were accumulated in 200 minute counting periods and illustrate the quality of spectral definition which can be achieved during such a period.…”

Section: Detectors and Instrumentationmentioning

confidence: 95%

“…Since both cr(E) and <t>(E) are complex functions of E, numerical integration has to be applied over energy intervals AE: R = 2A(t(E)A<S>(E) (54) Even this approach gives only an approximate value of the induced activity in a sample since the precision on a(E) and <&(E) is quite poor.…”

Section: E Reaction Ratesmentioning

confidence: 99%

“…MeV, 8 MeV,20 MeV and 16 MeV, respectively. Tritons have also been extensively studied and applied [54,55]. This charged particle analysis is of a unique type since the tritons are produced by thermal neutron irradiation of 6 Li.…”

Section: F Application In Activation Analysismentioning

confidence: 99%

See 2 more Smart Citations