Рубрики
Теория строения молекул и химической связи
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Excited states of weak interacting complexes
between formaldehyde and alkali metal ions
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A density functional investigation of geometrical and electronic structures, charge transfer, and photoluminescent property of a zinc(II) complex with 5-amino-2-(1H-benzoimidazol-2-yl)-phenol

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Vibrational spectra, NBO, NLO analyses,
and molecular docking study of 3a,8a-dihydroxy-2-thioxo-
1,3,3a,8a-tetrahydroindeno[1,2-d]imidazol-8(2H)-one, using DFT

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Theoretical study of solvent effect on the electronic and vibrational properties of [CpFe(CO)2(NCS)] and [CpFe(CO)2(SCN)] linkage isomers

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Exploring solvent effects on the spectroscopic properties
(IR and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2
carbyne complex

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Analysis of the interaction between C20 cage and cis-PtCl2(NH3)2:
A DFT investigation of solvent effect, structures,
properties and topologies

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Aromaticity of the bare iridium trimers and Ir3M0/+ and Ir3M2+/3+
(M = Li, Na, K and Be, Ca) bimetallic clusters

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Molecular structure, vibrational analysis, hyperpolarizability
and NBO analysis of 3-methyl-picolinic acid
using SQM calculations

стр.1056
Experimental and theoretical study on new Zn(II) halide complexes of 3,5-diazaindole

стр.527
Задача о колебаниях молекул с гауссовым потенциалом

Рубрики