Рубрики
Теория строения молекул и химической связи
стр.1338
DFT study of the structural and electronic properties
of conducting oligo(p-fluorophenylthiophene)
стр.1056
Experimental and theoretical study on new Zn(II) halide complexes of 3,5-diazaindole

стр.1067
Molecular structure, vibrational analysis, hyperpolarizability
and NBO analysis of 3-methyl-picolinic acid
using SQM calculations

стр.1077
Aromaticity of bare iridium trimers and Ir3M0/+ and Ir3M2+/3+
(M = Li, Na, K and Be, Ca) bimetallic clusters

стр.1089
Analysis of the interaction between the C20 cage and cis-PtCl2(NH3)2:
A DFT investigation of solvent effect, structures,
properties and topologies

стр.1097
Exploration of solvent effects on the spectroscopic properties
(IR and 13C NMR) in the OsCl3(≡CCH2CMe3)(PH3)2
carbyne complex

стр.1102
Theoretical study of solvent effect on the electronic and vibrational properties of [CpFe(CO)2(NCS)] and [CpFe(CO)2(SCN)]
linkage isomers

стр.1110
Excited states of weak interacting complexes
of formaldehyde and alkali metal ions

стр.1121
Vibrational spectra, NBO and NLO analyses,
and a molecular docking study of 3a,8a-dihydroxy-2-thioxo-
1,3,3a,8a-tetrahydroindeno[1,2-d]imidazol-8(2H)-one, using DFT

стр.1130
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

Рубрики