По вашему запросу найдено документов: 17345
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Symmetry in Quantum and Computational Chemistry: Volume 2The problem of symmetry in quantum and computational chemistry is a paradigm of development
Carnosine conformersA semiempirical quantum chemical method PM3 was used to calculate the geometry and energy
Quantum-chemical calculations for the electronic absorption spectra of certain anthocyanidinsQuantum-chemical calculations for the electronic absorption spectra of certain anthocyanidins
Surface magnetism of silicon [111](7×7) and [001](2×1) surfaces: Quantum-chemical approachSurface magnetism of silicon [111](7×7) and [001](2×1) surfaces: Quantum-chemical approach
Why sp2-like nanosilicons should not form: Insight from quantum chemistryWhy sp2-like nanosilicons should not form: Insight from quantum chemistry
Electronegativity in quantum chemistry) of an electron-nucleus system in terms of the quantum-mechanical density functional theory (DFT). The principle
Fullerenes as polyradicals pairing are discussed. A computational spin-polarized quantum-chemical scheme is suggested to evaluate
Structure and vibrational spectra of mononitroalkanes quantum-chemical methods. The data obtained were used for calculation of the frequencies and modes
TUNCUR: Sequential codes for semiempirical quantum chemical calculations of tunneling current clusters. Quantum chemical calculations in TUNCUR codes are provided by sequential programs, CLUSTER-Z1
Formation of new types of inhomogeneous spatial structures in the chemical reaction in imperfect systemsquantum chemistry
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