𝔖 Bobbio Scriptorium
✦   LIBER   ✦

NoN4-dependence in the calculation of large molecules

✍ Scribed by Volker Dyczmons


Publisher
Springer
Year
1973
Tongue
English
Weight
157 KB
Volume
28
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Excitation energy dependence of non-radi
✍ Sighart F. Fischer; E.C. Lim πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 612 KB

It is sho)vn that the changes in the non-mdiativc decay rate of dilute aromatic vapors, following excitation of higher-lying singlet states, can be related to the dependence of vibrational level distribution (in St) upon the initially excited singlet states. The excitation energy dependence of radia

Linewidth dependence of quasi-stationary
✍ C. Tric πŸ“‚ Article πŸ“… 1973 πŸ› Elsevier Science 🌐 English βš– 506 KB

## Recerved 2 Apr11 1973 We study the quaskstatlonary state?, or elgenstates, of the decay matrlv for a system described by one su-igle VIbromc state 1s) coupled to a marufold (I), both Is) and (I} levels bemg coupled to separate contmua whrch endow them with fuute lmeuldths rs, r[ When all the ze

The Calculation of Indirect Nuclear Spin
✍ Mark A. Watson; PaweΕ‚ SaΕ‚ek; Peter Macak; MichaΕ‚ JaszuΕ„ski; Trygve Helgaker πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 372 KB πŸ‘ 1 views

## Abstract We present calculations of indirect nuclear spin–spin coupling constants in large molecular systems, performed using density functional theory. Such calculations, which have become possible because of the use of linear‐scaling techniques in the evaluation of the Coulomb and exchange‐cor

Algorithm for rapid calculation of exclu
✍ Jun'Ichi Higo; Nobuhiro Gō πŸ“‚ Article πŸ“… 1989 πŸ› John Wiley and Sons 🌐 English βš– 402 KB

An algorithm is described for rapid calculation of excluded volume of large molecules. The excluded volume is defined based on coordinates of constituent atoms as the volume of overlapping spheres, each standing for a space around an atom inaccessible for a solvent molecule. A computer program based