نتایج جستجو برای: nearest neighboring molecules
تعداد نتایج: 248407 فیلتر نتایج به سال:
The electronic band structure and the charge density distribution are theoretically studied in rhombohedral monoclinic selenium, orthorhombic sulphur with aim to classify types of chemical bonding molecular crystals chalcogens. It is found that valence s- lower energy p-electrons contribute mainly covalent bonds between nearest neighboring atoms ring-shaped molecules, while all provide rings cr...
Introduction: Breast cancer is one of the most common types of cancer and the most common type of malignancy in women, which has been growing in recent years. Patients with this disease have a chance of recurrence. Many factors reduce or increase this probability. Data mining is one of the methods used to detect or anticipate cancers, and one of its most common uses is to predict the recurrence...
In this work, using the state-of-the-art first-principles calculations based on density functional theory, we found that concentration and coordination of surface oxygen vacancies with respect to each other were critical for direct water-splitting reaction (001) surfaces PbTiO3 TiO2. For happen TiO2-terminated surfaces, it is necessary have two neighboring O acting as active sites host adsorbin...
Introduction: Breast cancer is one of the most common types of cancer and the most common type of malignancy in women, which has been growing in recent years. Patients with this disease have a chance of recurrence. Many factors reduce or increase this probability. Data mining is one of the methods used to detect or anticipate cancers, and one of its most common uses is to predict the recurrence...
The structure of N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine, C19H22N2O2, has been studied at low temperature (120K) by means of single-crystal X-ray diffraction. Solving the structure shows an orthorhombic unit cell, with P212121 space group, Z = 4, a = 6.1046 (4) Å, b = 15.8349 (11)</e...
Sampling methods have a theoretical basis and should be operational in different forests; therefore selecting an appropriate sampling method is effective for accurate estimation of forest characteristics. The purpose of this study was to estimate the stand density (number per hectare) in Arasbaran forest using a variety of the plotless density estimators of the nearest neighbors sampling me...
N,N-bis(2-quinolinylmethyl)benzylamine (1) was synthesized under basic conditions from a pseudo-three-component reaction between benzylamine and two molecules of 2-(quinolinylmethyl)chloride, resulting in the formation N–C bonds single step. Compound crystallizes triclinic system P-1 space group. The unit cell comprises dimer 1, which monomers are linked by complementary hydrogen N1 H′1–C′1 ano...
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