نتایج جستجو برای: semiempirical quantum mechanics

تعداد نتایج: 337980  

Journal: :WIREs Computational Molecular Science 2013

رابعی, اردشیر, رضایی, سودابه,

 The phase space which is related to the motion of massive particle on 1+3- De sitter space is a 3-dimensional complex sphere. Our main aim in this study is discribing this movement in the frame quantum mechanics. Transfering from classical mechanic to quantum mechanics is possible by means of coherent states. Thus, after determination of this state, we quantize some of the classical observables.

Journal: :Proceedings of the National Academy of Sciences of the United States of America 2008
Jianzhong Wu John M Prausnitz

Pairwise additivity of the hydrophobic effect is indicated by reliable experimental Henry's constants for a large number of linear and branched low-molecular-weight alkanes in water. Pairwise additivity suggests that the hydrophobic effect is primarily a local phenomenon and that the hydrophobic interaction may be represented by a semiempirical force field. By representing the hydrophobic poten...

Journal: :iranian journal of astronomy and astrophysics 2014
nematollah riazi saeid davatolhagh hooman moradpour

using the usual definitions of information and entropy in quantum gravity and statistical mechanics and the existing views about the relation between information and complexity, we examine the evolution of complexity in an ever expanding universe.

اتفاقی , محمد مهدی, موسوی, سید وحید, عزیزاکرم, حمید ,

Although charged leptons, contrary to neutrinos, cannot oscillate, exploring whether a coherent  superposition of charged lepton states can change to others during the propagation is an important problem in the neutrino oscillation theory. In this paper, we consider electrons and muons coming from the pions and W decays and study their propagation in relativistic Bohmian quantum mechanics. We f...

رزمجو, آرش, پهلوانی, حسن,

The quantum theory for a mesoscopic electric circuit with charge discreteness is investigated. Taking the Caldirola-Kanai Hamiltonian in studding quantum mechanics of dissipative systems, we obtain the persistent current and the energy spectrum of a damped quantum LC-design mesoscopic circuit under the influence of a time-dependent external field.

علی مصطفی‌زاده, ,

  We elaborate on some recent results on a solution of the Hilbert-space problem in minisuperspace quantum cosmology and discuss the consequences of making the (geometry of the) Hilbert space of ordinary nonrelativistic quantum systems time-dependent. The latter reveals a remarkable similarity between Quantum Mechanics and General Relativity.

Journal: :Journal of medicinal chemistry 2008
Ting Zhou Danzhi Huang Amedeo Caflisch

To take into account polarization effects, the linear interaction energy model with continuum electrostatic solvation (LIECE) is supplemented by the linear-scaling semiempirical quantum mechanical calculation of the intermolecular electrostatic energy (QMLIECE). QMLIECE and LIECE are compared on three enzymes belonging to different classes: the West Nile virus NS3 serine protease (WNV PR), the ...

There are many claims that quantum mechanics plays a key role in the origin and/or operation of biological organisms. The mechanism of the meiosis, mitosis and gametes life cycle from the view-point of quantum for human has been represented. The quantum gates have been used to simulate these processes for the first time. The reason of several hundred sperms has been explained in the male too

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید