Controlling chemical reactions in the quantum regime
نویسندگان
چکیده
منابع مشابه
Quantum Indistinguishability in Chemical Reactions
Quantum indistinguishability plays a crucial role in many low-energy physical phenomena, from quantum fluids to molecular spectroscopy. It is, however, typically ignored in most high temperature processes, particularly for ionic coordinates, implicitly assumed to be distinguishable, incoherent and thus well-approximated classically. We explore chemical reactions involving small symmetric molecu...
متن کاملmesuring the staff technology readiness, the case of a multi national chemical company operating in iran
چکیده ندارد.
15 صفحه اولControlling the quantum stereodynamics of ultracold bimolecular reactions
Molecular collisions in the quantum regime represent a new opportunity to explore chemical reactions. Recently, atom-exchange reactions were observed in a trapped ultracold gas of KRb molecules. In an external electric field, these polar molecules can easily be oriented and the exothermic and barrierless bimolecular reactions, KRb + KRb → K2 + Rb2, occur at a rate that rises steeply with increa...
متن کاملQuantum Chemical Studies of Aromatic Substitution Reactions
In this thesis, density functional theory (DFT) is used to investigate the mechanisms and reactivities of electrophilic and nucleophilic aromatic substitution reactions (SEAr and SNAr respectively). For SEAr, the σ-complex intermediate is preceded by one (halogenation) or two (nitration) π-complex intermediates. Whereas the rate-determining transition state (TS) for nitration resembles the seco...
متن کاملQuantum Chemical Prediction of Hydrocarbon Cracking Reactions
For many years, researchers have been developing theoretical methods of estimating reaction rates and energetics when experimental measurements are not available. Recent advances have led to composite energy methods with near chemical accuracy. The performance of these new methods for predicting activation energies and rate constants have not been evaluated for large hydrocarbon cracking reacti...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physics Today
سال: 2011
ISSN: 0031-9228,1945-0699
DOI: 10.1063/pt.3.1345