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Stereochemistry of seven-membered heterocycles: XLII. A theoretical study of stereochemistry of H complexes formed by conformationally nonuniform 2-R-1,3-dioxacyclohept-5-enes with some proton donorsAccording to semiempirical AM1 calculations, the stability of the boat and twist forms of 2-R-1,3

An experimental and theoretical study of intramolecular cyclization of phosphorylated thioureasNew 1,3,2-thiazaphospholines were prepared, and their steric and electronic structures were

Effects of a phytogenic diet on growth, haemato-immunological parameters, expression of immune- and stress-related genes, and resistance of Oncorhynchus mykiss to Lactococcus garvieae infection with different PM levels as 0, 470, 940, 1410, 1880, and 2350 mg/kg and labeled as PM0 (control), PM1, PM2, PM3

Reaction barriers and deformation energies of C 60-based composites. I. C 60 dimers and oligomers>tot. The computations were performed by using the AM1 semiempirical version of unrestricted broken symmetry Hartree

Влияние термодинамического состояния на фотофизические свойства цианоантраценаSemi-empirical Quantum-Chemical calculations of the photophysical molecular properties

Статистический метод описания молекулярных спектровsemi-empirical Hartree-Fock

Semi-empirical simulation of mercury surface formationSemi-empirical simulation of mercury surface formation

New semiempirical relationship for evaluation of aromaticity of crude oil and petroleum products from 1H NMR spectra in crude oil and petroleum products) based on 1H NMR spectra. © 2014 Springer Science+Business Media New

Transport and optical properties of warm dense aluminum in the two-temperature regime: Ab initio calculation and semiempirical approximation calculation and semiempirical approximation

On the interpretation of the energy levels of the 4f 3 ground configuration of the free Nd3+ ionThe positions of the energy levels of the 4f 3 ground configuration of the free Nd3+ ion

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