نتایج جستجو برای: chemical models
تعداد نتایج: 1262564 فیلتر نتایج به سال:
Chemical gradients that run axially in a microfluidic channel often contain undesirable high-frequency concentration variations, or noise, that results from mechanical and thermal fluctuations in the system. In this paper, we describe a passive microfluidic component called an 'expansion channel' (EC), that removes high frequency noise through axial dispersion. We show that the behavior of the ...
In this paper, we show that the coarse grain model for DNA, which has been proposed recently by Knotts et al. [J. Chem. Phys. 126, 084901 (2007)], can be adapted to describe the thermal and mechanical denaturation of long DNA sequences by adjusting slightly the base pairing contribution. The adjusted model leads to (i) critical temperatures for long homogeneous sequences that are in good agreem...
We present a general computer algorithm to contract an arbitrary number of second-quantized expressions and simplify the obtained analytical result. The functions that perform these operations are a part of the program Nostromo which facilitates the handling and analysis of the complicated mathematical formulas which are often encountered in modern quantum-chemical models. In contrast to existi...
We report observations of several deuterated species in the dark clouds L134N and TMC1, and in particular of NH2D (deuterated ammonia). NH2D has been detected for the first time towards the dense core TMC1-N and very strong emission has been confirmed towards L134N. The deuterium fractionation is very different in these two clouds, with abundance ratio [NH2D]/[NH3]∼ 0.1 and ∼ 0.02, [N2D]/[N2H]∼...
Equilibrium structures have been determined for s-trans-1,3-butadiene and ethylene after adjusting the rotational constants obtained from rotational spectroscopy by vibration-rotation constants calculated from the results of quantum chemical calculations. For butadiene, the formal C=C bond length is 1.338 A, and the formal C-C bond length is 1.454 A. For ethylene, the C=C bond length is 1.3305 ...
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