نتایج جستجو برای: semi empirical methods
تعداد نتایج: 2149770 فیلتر نتایج به سال:
The goal of this handout is to present the most common empirical methods used in applied economics. Excellent references for the program evaluation and natural experiment approach are Angrist and Krueger (1999), and Mayer (1999). Angrist and Krueger (1999) contains more material and at a more detailed level than this handout and should be a high priority paper to read for students planning to w...
The results of MNDO, AM1 and PM3 semi-empirical calculations and HF/6-31G*, MP/6-31G*, MP2/6-311+G**, and B3LYP/6-311G** and QCISD/6-31G* ab initio methods for angle strain and conjugation effects in twist-boat, boat, and half-chair geometries of (Z,Z,Z)-cycloocta-1,3,5-triene indicate that all methods, except PM3, predict wrong ordering of the conformations.
جاذب های انرژی از اجزای مکانیکی هستند که در صنعت کاربرد های فراوانی دارند. در بین جاذب های بازگشت ناپذیر، لوله های فلزی بیشترین کاربرد را دارا هستند. دلیل استفاده زیاد از لوله های فلزی به عنوان ضربه گیر، هزینه کم و مقدار انرژی جذبی بالای آنها می باشد. فروریزش لوله های فلزی تحت بار محوری، به یک شیوه اتفاق نمی افتد. طی آزمایش های انجام شده مودهای مختلفی، برای فروریزش لوله ها تحت بار محوری مشاهده ...
This paper describes VERTa’s submission to the 2015 EMNLP Workshop on Statistical Machine Translation. VERTa is a linguistically-motivated metric that combines linguistic features at different levels. In this paper, VERTa is described briefly, as well as the three versions submitted to the workshop: VERTa70Adeq30Flu, VERTa-EQ and VERTaW. Finally, the experiments conducted with the WMT14 data ar...
An Erbium(III) quaternary chelate, nitratebis(2,4-hexanedionate)mono(2,2-bipyridine) erbium(III), has been synthesized and its structure elucidated by X-ray diffraction. There are two independent lanthanide complexes in the asymmetric unit cell. The ligands coordinate the Er(III) in a square anti-prismatic geometry. In the theoretical part of this study, semi-empirical quantum chemistry methods...
Regularities and systematic trends among the Stark widths of 18 Zr IV spectral lines obtained by modified semiempirical approach have been discussed. Also we compared those calculated Stark broadening parameters with estimates according to Cowley, Purić et al. and Purić and Šćepanović and checked the possibility to find some new estimates. It is demonstrated as well that the formula of Cowley (...
The presence of protostellar disks can greatly increase the dissipation during close stellar encounters, leading to the formation of a significant population of binaries during the initial collapse and virialization of a cluster. We have used N-body simulations of collapsing globular clusters to find the major factors that determine the efficiency of binary formation through star-disk captures....
Baylis' semiempirical method has been applied for calculating interatomic potentials and oscillator strengths as a function of internuclear separation of the thallium-noble gas systems. The new potentials for the four lowest molecular states of each diatomic have been compared with the corresponding ones deduced by Cheron et al. from the measurement of continuum emission intensities on the extr...
We report on three new types of nanoelectromechanical systems based on carbon nanotubes: an electromechanical nanothermometer, a nanorelay and a nanomotor. The nanothermometer can be used for accurate temperature measurements in spatially localized regions with dimensions of several hundred nanometers. The nanorelay is a prototype of a memory cell, and the nanoactuator can be used for transform...
The aquatic plant water hyacinth is a powerful tool for mediating pollution from aquatic environment. PM3 semiempirical method and FTIR spectroscopy was used to predicate the mechanism of pollution control. First the plant is subjected to acetic acid 0.1 M for 19 hours. FTIR proves that the plant is cellulose like material. Furthermore, the acetylated plant is looks like cellulose acetate. The ...
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