| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An analogous Twisted Little Tale on the significance of unusual infrared frequencies
|
Agranat, Israel
|
|
|
35 |
6 |
p. 1937-1941
|
artikel
|
| 2 |
A Zn(II)-based 1D Coordination Polymer with Adsorption Properties and Hirshfeld Surface Analysis
|
Rasulovich, Safarov Azamat
|
|
|
35 |
6 |
p. 2021-2031
|
artikel
|
| 3 |
Combined computational and experimental studies of tripropylammonium 2-sulfobenzoate protic ionic liquid
|
Fedorova, Irina V.
|
|
|
35 |
6 |
p. 1881-1891
|
artikel
|
| 4 |
Counter ions in tuning the extended arrangements of pyrazolone-thiosemicarbazone-based Fe(III) complexes
|
Ashebr, Tesfay G.
|
|
|
35 |
6 |
p. 2015-2020
|
artikel
|
| 5 |
Crystallization of chiral thiourea derivatives of 1-phenylethylamine: transfer of stable motifs from racemic to homochiral environment
|
Frantsuzova, Lyubov V.
|
|
|
35 |
6 |
p. 1963-1980
|
artikel
|
| 6 |
Crystal structure, molecular docking with SARS-CoV-2 receptors, and potential drug property of tetrahedral Zn(II) complexes
|
Nashre-ul-Islam, Swah Mohd.
|
|
|
35 |
6 |
p. 1719-1742
|
artikel
|
| 7 |
Crystal structure of (Z)-10-(bromoiodomethylene)phenanthren-9(10H)-one: halogen bond and mechanism implication
|
Bovonsombat, Pakorn
|
|
|
35 |
6 |
p. 1713-1717
|
artikel
|
| 8 |
Crystal structure, packing features, DFT evaluation of intermolecular hydrogen bonds, and crystal lattice energy of a polymorph of 4-oxo-4-phenylbutanoic acid
|
Grinev, Vyacheslav S.
|
|
|
35 |
6 |
p. 2045-2053
|
artikel
|
| 9 |
Crystal structure, third-order nonlinear optical property relationship, density functional theory, and in silico bio activity of organic non-centrosymmetric crystal (E)-1-(thiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one
|
Sateesha, D.
|
|
|
35 |
6 |
p. 1681-1694
|
artikel
|
| 10 |
Electronic structure and magnetism manipulation of non-metal-doped monolayer chromium disulfide under strain
|
Liu, Huaidong
|
|
|
35 |
6 |
p. 1695-1711
|
artikel
|
| 11 |
Electronic structures of two-dimensional π-conjugated boroxine covalent organic frameworks
|
Qi, Qi
|
|
|
35 |
6 |
p. 1991-2000
|
artikel
|
| 12 |
Elucidating the mechanistic sensing capability of novel tetragonal graphene quantum dot towards tobacco alkaloids: a DFT study
|
Liaqat, Maria
|
|
|
35 |
6 |
p. 1755-1776
|
artikel
|
| 13 |
Enhancement of nonlinear optical response of 26Adamanzane by doping with alkali metals exohedrally and alkaline earth metals endohedrally: a DFT study
|
Akbar, Rimsha
|
|
|
35 |
6 |
p. 1943-1962
|
artikel
|
| 14 |
Germylene energetics: spectroscopic constants and bond dissociation energies of GeX, GeX−, GeX+, GeX2, GeX2− and GeX2+ (X = F, Cl, Br and I)
|
Ghosh, Sudeshna
|
|
|
35 |
6 |
p. 1777-1792
|
artikel
|
| 15 |
Molecular dynamics studies on interfacial interactions between imidazolium-based ionic liquids and carbon nanotubes
|
Biswas, Rima
|
|
|
35 |
6 |
p. 1743-1753
|
artikel
|
| 16 |
Nickel(II) complexes with a tetraazamacrocyclic diene ligand and its isomeric 'ane' forms: Synthesis, characterization, and antibacterial activities
|
Baidya, Adrity
|
|
|
35 |
6 |
p. 1981-1990
|
artikel
|
| 17 |
On how scientists communicate with their peers
|
Hargittai, Istvan
|
|
|
35 |
6 |
p. 1663-1679
|
artikel
|
| 18 |
On substituent effect in 1,n–homodisubstituted polyenes
|
Graff, Marek
|
|
|
35 |
6 |
p. 2033-2044
|
artikel
|
| 19 |
Radical scavenging mechanism of aryl carbamate: a computational case study using 3-morpholinopropyl phenyl carbamate
|
Kaur, Chhinderpal
|
|
|
35 |
6 |
p. 1893-1903
|
artikel
|
| 20 |
Reactions of chlorophyll with hydroxyl radicals via RAF, HAT and SET mechanisms: A theoretical study
|
Biswas, Swarnadeep
|
|
|
35 |
6 |
p. 1905-1916
|
artikel
|
| 21 |
Stabilization of cyclo-N6 by insertion into [18]-annulene: a DFT study
|
Pichierri, Fabio
|
|
|
35 |
6 |
p. 2055-2064
|
artikel
|
| 22 |
Structural chemistry of mixed-ligand fluoride complexes of uranyl
|
Davidovich, Ruven L.
|
|
|
35 |
6 |
p. 1805-1827
|
artikel
|
| 23 |
Structural, electrical, optical, and DFT studies of phenothiazine-based D–π–A frameworks for dye-sensitized solar cell applications
|
Dhivya, K. S.
|
|
|
35 |
6 |
p. 1843-1863
|
artikel
|
| 24 |
Synthesis, structure characterization, Hirshfeld surface analysis, and computational studies of 3-nitro-1,2,4-triazol-5-one (NTO):acridine
|
Şen, Nilgün
|
|
|
35 |
6 |
p. 1865-1879
|
artikel
|
| 25 |
The first examples of nitrobenzoate coordinated ruthenium(II) organometallics: reaction conditions driven product formation
|
Chowdhury, Jagannath
|
|
|
35 |
6 |
p. 1829-1842
|
artikel
|
| 26 |
Theoretical study on the conformation and aromaticity of [13] to [33] double-stranded cyclophanes encompassing three benzene subunits
|
Afshari, Mahsa
|
|
|
35 |
6 |
p. 2001-2013
|
artikel
|
| 27 |
Theoretical study on the structure and properties of energetic salts with catenated N11 cation
|
Pu, Wei-Wei
|
|
|
35 |
6 |
p. 1917-1924
|
artikel
|
| 28 |
Topological relations between crystal structures: a route to predicting inorganic materials
|
Kabanova, Natalia A.
|
|
|
35 |
6 |
p. 1793-1803
|
artikel
|
| 29 |
Using the vector of the ideality of correlation to simulate the zeta potential of nanoparticles under different experimental conditions, represented by quasi-SMILES
|
Toropova, Alla P.
|
|
|
35 |
6 |
p. 1925-1935
|
artikel
|
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