Results 241 to 250 of about 23,220,508 (301)

Umbrella Sampling for Excited States Using a Semiempirical Method. [PDF]

JACS Au
Vörös D, Gallmetzer HG, Dietschreit JCB, Mai S, González L.   +4 more
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How important are quantum mechanical effects in controlling biological functions: Enzymes, electron transfer and bird navigation. [PDF]

Protein Sci
Zhang A, Warshel A.
europepmc   +1 more source

Excited state distortions reverse the decay lifetime trend in Fe(ii) phenanthroline complexes. [PDF]

Chem Sci
Toigo J, Acharya U, Tong KM, Farias G, Kamal S, Patrick BO, Wolf MO.   +6 more
europepmc   +1 more source

Trochleoplasty for patellofemoral instability: current concepts. [PDF]

Spartan Med Res J
Mudiganty S, Hess A, Nguyen M, Gonzales J, Clement RC, Gargiulo D.   +5 more
europepmc   +1 more source

Resolving sequential electron-proton transfer kinetics for electrochemical CO₂ reduction at the Cu(100)/H₂O interface <i>via</i> a quantum-classical framework. [PDF]

Chem Sci
Yang Y, Fu G.
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Double Thionation of 4-Dimethylaminophthalimide Leads to the Development of a Highly Effective Photosensitizer. [PDF]

Chemistry
Acquah C, Lee E, Seth SK, Mathew R, Khan RR, Jockusch S, Yang S, Xiao H, Crespo-Hernández CE.   +8 more
europepmc   +1 more source

Electron-Impact Excitation Cross Sections between Excited States in He

Electron-Impact Excitation Cross Sections between Excited States in He
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Crossing of Two Electronic States

Biological and Medical Physics Series, 2010
In this chapter, we discuss crossing between two or more Born–Oppenheimer states. We begin with wave packet motion which allows to introduce the classical limit for nuclear motion. The matrix elements of the nonadiabatic coupling can become very large or even divergent, whenever two electronic states come close.
Philipp O J Scherer, Sighart F Fischer
exaly   +2 more sources

Electron excitation cross section of atomic transitions in the two‐state approximation

Annalen der Physik, 2004
Abstract The cross section of the 3s → 3p transition of sodium produced by electron impact has been calculated by performing a numerical integration of the coupled differential equations. The potential functions have been calculated exactly using the hydrogen‐like wave functions for the valence electron of the sodium with an effective
Kamli, A., Bougouffa, S.
openaire   +2 more sources