نتایج جستجو برای: semi classical transition state

تعداد نتایج: 1356564  

Journal: :journal of physical & theoretical chemistry 2005
saeed taghvaei-ganjali hassan kabiri-fard

thermal rearrangement of 7,7-dichloro-[a,c]-dibenzo-[4,1,0]-bicycloheptane (1) to 5,6-dichloro-5hdibenzo-[a,c]-cycloheptene (2) was studied in the solid phase and in solvents with different polarities. thefirst-order constants at various temperatures for the rearrangement process were evaluated from theabsorption time data. the activation parameters for this rearrangement were obtained from the...

2001
Zai-Qiao Bai

We discuss the energy splitting ∆ǫ of nearly degenerate eigenstates which classically correspond to symmetrically distributed tori in phase space. We find that the naive expectation that the tunneling-induced splitting vanishes faster than any power of h̄ in semi-classical limit actually relies on certain smoothness assumption of the Hamiltonian. The quantum transition between the semi-classical...

Journal: :journal of physical & theoretical chemistry 2008
saeid abedini khoramie shahram moradi somayeh miryousefi samira eftekharjoo

the reaction mechanism between (h2c) and (7, 0), zigzag single-walled carbon nanotubes(zswcnts) on two different orientation of c-c have been studied by semi empirical am!method. the activation barriers of (h2c) adding to (7, 0) zswcnt are computed and compared.the effects of diameters of zigzag swcnt on their binding energies were studied

1995
Naomichi Hatano Yoshihiro Nishiyama

The S = 1/2 antiferromagnetic Heisenberg model on multi-leg ladders is investigated. Criticality of the ground-state transition is explored by means of finite-size scaling. The ladders with an even number of legs and those with an odd number of legs are distinguished clearly. In the former, the energy gap opens up as ∆E ∼ J⊥, where J⊥ is the strength of the antiferromagnetic inter-chain couplin...

1996
Priscilla E. Greenwood Wolfgang Wefelmeyer

A semi-Markov process stays in state x for a time s and then jumps to state y according to a transition distribution Q(x; dy; ds). A statistical model is described by a family of such transition distributions. We give conditions for a nonparametric version of local asymptotic normality as the observation time tends to innnity. Then we introducèempirical' estimators for linear functionals of the...

Journal: :bulletin of the iranian mathematical society 2014
e. yılmaz s. kılıçarslan cansu

let $n$ be a submodule of a module $m$ and a minimal primary decomposition of $n$ is known‎. ‎a formula to compute baer's lower nilradical of $n$ is given‎. ‎the relations between classical prime submodules and their nilradicals are investigated‎. ‎some situations in which semiprime submodules can be written as finite intersection of classical prime submodule are stated‎.

پایان نامه :دانشگاه تربیت معلم - تهران - دانشکده علوم 1393

in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...

2003
Marta Kwiatkowska Gethin Norman Jeremy Sproston

This paper continues our study of the verification problem for infinitestate systems featuring both nondeterministic and probabilistic choice. In an earlier paper we defined symbolic probabilistic systems, an extension of the framework of symbolic transition systems due to Henzinger et. al., and considered the problem of deciding the maximal probability of reaching a set of target states. A sym...

2009
Stephan André Valentina Brosco Michael Marthaler Alexander Shnirman Gerd Schön

Motivated by recent experiments, which demonstrated lasing and cooling of the electromagnetic modes in a resonator coupled to a superconducting qubit, we describe the specific mechanisms creating the population inversion, and we study the spectral properties of these systems in the lasing state. Different levels of the theoretical description, i.e., the semi-classical and the semi-quantum appro...

2005
Parampreet Singh

Modification to the behavior of geometrical density at short scales is a key result of loop quantum cosmology, responsible for an interesting phenomenology in the very early universe. We demonstrate the way matter with arbitrary scale factor dependence in Hamiltonian incorporates this change in its effective dynamics in the loop modified phase. For generic matter, the equation of state starts v...

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