| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A joint theoretical and experimental structural study of two novel 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine derivatives
|
Kaynak, Filiz Betül
|
|
2010
|
21 |
4 |
p. 795-802
|
artikel
|
| 2 |
Binding of ansa- and non-ansa-titanocene anticancer drugs to DNA: a DFT study
|
Deng, Chunqiang
|
|
2010
|
21 |
4 |
p. 735-744
|
artikel
|
| 3 |
Channel inclusion of primary alcohols in isostructural solvates of the antiretroviral nevirapine: an X-ray and thermal analysis study
|
Stieger, Nicole
|
|
2010
|
21 |
4 |
p. 771-777
|
artikel
|
| 4 |
Comparison of the molecular structures of five benzene derivatives as determined independently by gas-phase electron diffraction in two different laboratories: a perspective
|
Campanelli, Anna Rita
|
|
2010
|
21 |
4 |
p. 803-808
|
artikel
|
| 5 |
Conceptual density functional theory study on dichloropyridines as ambiphilic molecules
|
Mohajeri, Afshan
|
|
2010
|
21 |
4 |
p. 727-733
|
artikel
|
| 6 |
Conformational analysis of dibenzo[a,e]cyclooctadiene and three related heterocyclic compounds
|
Alkorta, Ibon
|
|
2010
|
21 |
4 |
p. 885-891
|
artikel
|
| 7 |
Density functional theory and topological analysis on the hydrogen bonding interactions in N-protonated adrenaline–DMSO complexes
|
Huang, Zhengguo
|
|
2010
|
21 |
4 |
p. 863-872
|
artikel
|
| 8 |
Density functional theory and topological analysis on the hydrogen bonds in cysteine–propanoic acid complexes
|
Huang, Zhengguo
|
|
2010
|
21 |
4 |
p. 855-862
|
artikel
|
| 9 |
Experimental and theoretical studies on the reactions of 1-amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-one/-thione compounds with ethyl acetoacetate
|
Önal, Zülbiye
|
|
2010
|
21 |
4 |
p. 809-816
|
artikel
|
| 10 |
First-principles study of electronic structure, absorption spectra, and thermodynamic properties of crystalline 1H-tetrazole and its substituted derivatives
|
Zhu, Weihua
|
|
2010
|
21 |
4 |
p. 847-854
|
artikel
|
| 11 |
Gas-phase conformations and exciton couplings in 5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene
|
Hamza, Abdulhamid
|
|
2010
|
21 |
4 |
p. 787-793
|
artikel
|
| 12 |
Influence of the basis set on the calculation of the absolute 13C shieldings of methyl derivatives (CH3X with X = CH3, CN, NH2, NO2, OH, F) with special emphasis in the cases of X = Cl, Br, SH, SeH, and PH2
|
Alkorta, Ibon
|
|
2010
|
21 |
4 |
p. 755-759
|
artikel
|
| 13 |
Insertion reactions of the p-complex structure of silylenoid into C–X bonds (X = F, Cl, Br, O, and N)
|
Qi, Yuhua
|
|
2010
|
21 |
4 |
p. 879-884
|
artikel
|
| 14 |
Molecular geometries, electronic properties, and vibrational spectroscopic studies of endohedral metallofullerenes TM@C24 and TM@C24H12 (TM = Cr, Mo, and W)
|
Wu, Julong
|
|
2010
|
21 |
4 |
p. 673-680
|
artikel
|
| 15 |
Molecular structures and electronic properties of helical thiophene carbon–sulfur oligomers, H2(C2S)nC2H2 (n = 1–20)
|
Wanno, Banchob
|
|
2010
|
21 |
4 |
p. 715-725
|
artikel
|
| 16 |
Oxidation effect on double H-bonded imidazole–adenine–imidazole trimer
|
Cui, Pei Ying
|
|
2010
|
21 |
4 |
p. 873-878
|
artikel
|
| 17 |
Self-assembly as a route to dinuclear lanthanide complexes with rare coordination pattern of salen-type ligand
|
Kaczmarek, Małgorzata T.
|
|
2010
|
21 |
4 |
p. 779-786
|
artikel
|
| 18 |
Study of cis–trans isomerization mechanism of 3,3′-azobenzene disulphonate in the lowest singlet and triplet electronic states by density functional theory
|
Zhu, Yue
|
|
2010
|
21 |
4 |
p. 817-825
|
artikel
|
| 19 |
Syntheses and characterizations of trinuclear and dinuclear “half-sandwich” zirconocene phosphates and phosphonates
|
Zhang, Rufen
|
|
2010
|
21 |
4 |
p. 745-753
|
artikel
|
| 20 |
Syntheses, crystal, and molecular structures of Mn(II), Zn(II), and Ce(III) compounds and solution studies of Mn(II), Ni(II), Cu(II), Zn(II), Cd(II), and Ce(III) compounds obtained from a suitable proton transfer compound containing bda and pydcH2 (bda = butane-1,4-diamine; pydcH2 = pyridine-2,6-dicarboxylic acid)
|
Aghabozorg, Hossein
|
|
2010
|
21 |
4 |
p. 701-714
|
artikel
|
| 21 |
Syntheses, spectroscopic and crystallographic characterizations of 4-nitrobenzyloxy derivatives and benzofurans from ortho-substituted benzaldehydes and 4-nitrobenzyl bromide
|
Hayvali, Zeliha
|
|
2010
|
21 |
4 |
p. 837-845
|
artikel
|
| 22 |
Synthesis, X-ray studies, spectroscopic investigation, and DFT calculations of [ReBr3(dppt)(OPPh3)]
|
Machura, B.
|
|
2010
|
21 |
4 |
p. 761-769
|
artikel
|
| 23 |
The Human Genome Project—A triumph (also) of structural chemistry: On Victor McElheny’s new book, Drawing the Map of Life
|
Hargittai, István
|
|
2010
|
21 |
4 |
p. 667-671
|
artikel
|
| 24 |
Theoretical study of a conjugated aromatic molecular wire
|
Farmanzadeh, Davood
|
|
2010
|
21 |
4 |
p. 691-699
|
artikel
|
| 25 |
The proton transfer process observed in the structure analysis and DFT calculations of (E)-2-ethoxy-6-[(2-methoxyphenylimino)methyl]phenol
|
Petek, Hande
|
|
2010
|
21 |
4 |
p. 681-690
|
artikel
|
| 26 |
Tricarbonyltechnetium(I) and tricarbonylrhenium(I) complexed with N-methyl-2-pyridinecarboxyamide as potential radiopharmaceuticals: a computational study
|
Fuks, L.
|
|
2010
|
21 |
4 |
p. 827-835
|
artikel
|
| 27 |
Two 3D supramolecules with helices constructed by hydrogen bonds based on p-thioacetatebenzoic acid ligand
|
Zhan, Cai-Hong
|
|
2010
|
21 |
4 |
p. 893-899
|
artikel
|
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