| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer
|
Chermahini, Alireza Najafi
|
|
2010
|
21 |
3 |
p. 643-649
|
artikel
|
| 2 |
Combined DFT with NBO and QTAIM studies on the hydrogen bonds in (CH3OH)n (n = 2–8) clusters
|
Huang, Zhengguo
|
|
2010
|
21 |
3 |
p. 565-572
|
artikel
|
| 3 |
Complete 1H and 13C NMR signal assignments and chemical shift calculations of four 1,2,4-oxadiazole-based light-emitting liquid crystals
|
Silva, Ricardo O.
|
|
2010
|
21 |
3 |
p. 485-494
|
artikel
|
| 4 |
Computational investigation on 2,6-diamino-3,5-dinitropyridine-1-oxide crystal
|
He, Zhi-Wei
|
|
2010
|
21 |
3 |
p. 651-656
|
artikel
|
| 5 |
Crystal structure of the biclotymol–N,N-dimethylacetamide solvate 1:1: experimental and theoretical conformational analysis of biclotymol molecule
|
Nicolaï, Béatrice
|
|
2010
|
21 |
3 |
p. 503-510
|
artikel
|
| 6 |
Exploring the structural and electronic properties of nitrogen-containing exohydrogenated carbon nanotubes: a quantum chemistry study
|
Contreras, M. Leonor
|
|
2010
|
21 |
3 |
p. 573-581
|
artikel
|
| 7 |
First-principles band gap criterion for impact sensitivity of energetic crystals: a review
|
Zhu, Weihua
|
|
2010
|
21 |
3 |
p. 657-665
|
artikel
|
| 8 |
Geometrical and energetical aspects of structure of 3,6-di-tert-butyl-o-benzoquinones
|
Fukin, G. K.
|
|
2010
|
21 |
3 |
p. 607-611
|
artikel
|
| 9 |
Interplay of thermochemistry and Structural Chemistry, the journal (volume 16, 2005) and the discipline
|
Ponikvar-Svet, Maja
|
|
2010
|
21 |
3 |
p. 527-540
|
artikel
|
| 10 |
Lev V. Vilkov (1931–2010): scientist, friend, editorial board member
|
Hargittai, István
|
|
2010
|
21 |
3 |
p. 469-470
|
artikel
|
| 11 |
New hybrids of clozapine and haloperidol and their isosteric analogues: synthesis, X-ray crystallography, conformational analysis and preliminary pharmacological evaluation
|
Capuano, Ben
|
|
2010
|
21 |
3 |
p. 613-628
|
artikel
|
| 12 |
Novel α-spirocyclic (alkyl)(amino)carbenes at the theoretical crossroad of flexibility and rigidity
|
Kassaee, M. Z.
|
|
2010
|
21 |
3 |
p. 593-598
|
artikel
|
| 13 |
On the relationships between molecular conformations and intermolecular contacts toward crystal self-assembly of mono-, di-, tri-, and tetra-oxygenated xanthone derivatives
|
Corrêa, Rodrigo S.
|
|
2010
|
21 |
3 |
p. 555-563
|
artikel
|
| 14 |
Pioneer of hyaluronan structural chemistry and other studies of polysaccharides: Torvard C. Laurent (1930–2009)
|
Hargittai, István
|
|
2010
|
21 |
3 |
p. 471-480
|
artikel
|
| 15 |
Polymorphism for a novel phosphoramidate; NMR and X-ray crystallography
|
Gholivand, Khodayar
|
|
2010
|
21 |
3 |
p. 629-636
|
artikel
|
| 16 |
Selected AChE reactivators in different crystalline environment: salts and enzyme
|
Skórska-Stania, Agnieszka
|
|
2010
|
21 |
3 |
p. 495-501
|
artikel
|
| 17 |
Simvastatin: structure solution of two new low-temperature phases from synchrotron powder diffraction and ss-NMR
|
Hušák, Michal
|
|
2010
|
21 |
3 |
p. 511-518
|
artikel
|
| 18 |
Structural aspects in polymers: interconnections between conformational parameters of the polymers with their physical properties
|
Ronova, Inga
|
|
2010
|
21 |
3 |
p. 541-553
|
artikel
|
| 19 |
Synthesis, spectral and structural studies of oxovanadium(IV/V) complexes derived from 2-hydroxyacetophenone-3-hydroxy-2-naphthoylhydrazone: polymorphs of oxovanadium(V) complex [VOL(OCH3)]
|
Kurup, M. R. Prathapachandra
|
|
2010
|
21 |
3 |
p. 599-605
|
artikel
|
| 20 |
The new arsine ruthenium(III) complex with pyrazole ligand
|
Małecki, J. G.
|
|
2010
|
21 |
3 |
p. 637-641
|
artikel
|
| 21 |
Theoretical simulation of CdTe nanocrystals in aqueous synthesis
|
Xu, Shuhong
|
|
2010
|
21 |
3 |
p. 519-525
|
artikel
|
| 22 |
The tunability of the electronic structures for poly(carbosilylsilanes): a theoretical study
|
Ding, Yunqiao
|
|
2010
|
21 |
3 |
p. 583-592
|
artikel
|
| 23 |
What is the enthalpy of formation of acrylonitrile?
|
Notario, Rafael
|
|
2010
|
21 |
3 |
p. 481-484
|
artikel
|
Tijdschrift beschrijving