منابع مشابه
PREPARATION AND MOLECULAR STRUCTURE OF 2-BENZYLAMINOPYRIDINE COPPER(1) COMPLEX
2-Benzylaminopyridine (HBAP) reacts with NaH in THF and generates the sodium salt (NaBAP). Further reaction of [Cu(TMEDA) ] [CuCl ] with one equivalent of this ligand in THF leads to the formation of a dimeric Cu(1) complex, [Cu (BAP)] . H 0. The molecular structure has been determined by using a single-crystal X-ray diffraction method. The yellow compound crystallizes in the monoclinic s...
متن کامل1 Molecular Electronic Structure
III. Homonuclear Diatomics: Second-Row Elements 14 A. The diatomic boron molecule 16 1. Σg state 16 2. Σg state 19 B. The diatomic oxygen and carbon molecules in their lowest states 20 1. O2 20 2. Reflection symmetry 21 3. Electron repulsion 23 4. MCSCF calculations for O2 24 5. The C2 molecule 25 C. Spectroscopic notation for diatomic molecules 28 D. States of other homonuclear diatomic molecu...
متن کاملMolecular structure of proline.
The molecular structures of the two lowest-energy conformers of proline, Pro-I and Pro-II, have been characterized by ab initio electronic structure computations. An extensive MP2/6-31G* quartic force field for Pro-I, containing 62,835 unique elements in the internal coordinate space, was computed to account for anharmonic vibrational effects, including total zero-point contributions to isotopo...
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The self-similar symmetry that occurs between atomic nuclei, biological growth structures, the solar system, globular clusters and spiral galaxies suggests that a similar pattern should characterize atomic and molecular structures. This possibility is explored in terms of the current molecular structure-hypothesis and its extension into four-dimensional space-time. It is concluded that a quantu...
متن کاملStructure of molecular liquids.
We present a method for calculating, by computer simulation, the direct correlation function c(1; 2) for a molecular liquid in the form of a spherical harmonic expansion. This allows us to test, at the most fundamental level, predictions of the structure of molecular liquids using density functional and integral equation approaches. As an example, we test some simple ansatzes for c(1; 2) for pr...
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ژورنال
عنوان ژورنال: Nature
سال: 1973
ISSN: 0028-0836,1476-4687
DOI: 10.1038/244058a0