نتایج جستجو برای: quantum theory
تعداد نتایج: 1004040 فیلتر نتایج به سال:
in the present study, the interactions of three different lithium species li+, li3+ and ch3li with several different sites of the most stable tautomers of dna nucleo-bases are presented. this investigation is based on the results of thermochemical properties, quantum theory of atoms in molecules (qtaim) and natural bond orbital (nbo) analysis, obtained at b3lyp/6-311++g(d,p) level of theory. th...
We present a uniform framework for the treatment of a large class of toy models of quantum theory. Specifically, we will be interested in theories of wavefunctions valued in commutative involutive semirings, and which give rise to some semiring-based notion of classical non-determinism via the Born rule. The models obtained with our construction possess many of the familiar structures used in C...
In this paper, to understand the concept of coupling, molecule density of states that coupled to the metal electrodes will be explained then, based on this concept, a weak and strong coupling for the molecules attached to the metal electrodes will be described. Capacitance model is used to explore the connection of addition energy with the Electron affinity and the ionization energy of the mole...
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