✦ LIBER ✦

Theory of radiontless transitions for large molecules

✍ Scribed by Sighart Fischer; Edward W. Schlag

Publisher: Elsevier Science
Year: 1969
Tongue: English
Weight: 299 KB
Volume: 4
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(69)80272-1

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Radiationless transitions of molecules w

Radiationless transitions of molecules with large nuclear rearrangement

✍ Akinori Sarai; Toshiaki Kakitani 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 451 KB

Radtattonless trdnstttons of molcculcs nccompanted by a lnr\_ec nuclcnr rcarrJngemcnt v.cre mvestt:atcd. A gcncral formula whtch includes mtcrfercncc effects among promotmg modes WJS used. Numcrtcal analysts for the model 5k stem rcwaled that the encrgygJp dcpendcncc of the transttton probobthty c\h

Anharmonicities in the theory of non-rad

Anharmonicities in the theory of non-radiative transitions for polyatomic molecules

✍ S. Fischer 📂 Article 📅 1971 🏛 Elsevier Science 🌐 English ⚖ 455 KB

Effects of anharmonicities on radiationl

Effects of anharmonicities on radiationless transitions in large molecules

✍ Y. Mikami; K. Mizunoya; T. Nakajima 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 722 KB

A new computational method to account for the effect of anharmonicities on non-radhtive decay ratesofkge molecules in the statisti~l limit is given by using expansions of the generating functions which have been used successfully 'ffl multiphor;on processes. This method is free from the ambiguity wh

A new method to calculate reaction paths

A new method to calculate reaction paths for conformation transitions of large molecules

✍ Oliver S. Smart 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 927 KB

Path energy minimization (PEM), a novel method for the generation of a reaction path linking two known conformers of a molecule, is presented. The technique is based on optimizing a function which closely approximates the peak potential energy of a quasi-continuous path between the fmed end points.

Localized electron pair theory for the c

Localized electron pair theory for the calculation of ground state energies of large molecules

✍ J.M. Cullen 📂 Article 📅 1992 🏛 John Wiley and Sons 🌐 English ⚖ 743 KB

The quantum mechanical energy is examined in which groups of one, two, three, and four localized electron pairs found within a molecule are separately computed. From these results, the interaction energies of the electron pairs taken one, two, three, and four at a time form the terms of a convergent

Theory of cooperative transitions in pro

Theory of cooperative transitions in protein molecules. II. Phase diagram for a protein molecule in solution

✍ Alexey V. Finkelstein; Evgeny I. Shakhnovich 📂 Article 📅 1989 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 707 KB

The thermodynamically stable states of denatured protein in solution are investigated. These states are distinguished from the native state by the absence of tight packing of side chains while the compactness of denatured protein may vary within a wide region. The following regimes are outlined: 1.