| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An ab initio and density functional theory study on the mechanism for the reaction of OH with 2-ethylfuran
|
Zhang, Weichao
|
|
2008
|
20 |
3 |
p. 525-532
|
artikel
|
| 2 |
A new hetero-bimetallic coordination polymer, cesium, and sodium complex of styphnate trihydrate [CsNa(TNR)(H2O)3]n
|
Liu, Jun-Wei
|
|
2009
|
20 |
3 |
p. 387-392
|
artikel
|
| 3 |
Benzamidinium acetylsalicylate: crystal structure of the first salt with acetylsalicylate anion
|
Kolev, T.
|
|
2009
|
20 |
3 |
p. 533-536
|
artikel
|
| 4 |
Calculated ionization energies for a series of sesquiterpenes: comparisons with experimental vertical ionization energies and comments on related structure–activity relationships (SARs)
|
Nauduri, Dhananjaya
|
|
2009
|
20 |
3 |
p. 417-421
|
artikel
|
| 5 |
Cations of halogenated methanes: adiabatic ionization energies, potential energy surfaces, and ion fragment appearance energies
|
He, Yi-Liang
|
|
2009
|
20 |
3 |
p. 461-479
|
artikel
|
| 6 |
Comparative study on two 2-pyrazoline derivatives with experimental and theoretical methods
|
Zhao, Pu Su
|
|
2009
|
20 |
3 |
p. 443-451
|
artikel
|
| 7 |
Conformational stability, r0 structural parameters, barriers to internal rotation, ab initio calculations, and vibrational assignment for 2,2-difluoroethanol
|
Durig, James R.
|
|
2009
|
20 |
3 |
p. 489-503
|
artikel
|
| 8 |
Density functional theory study on the –SO3H functionalized acidic ionic liquids
|
Liu, Xue-Min
|
|
2009
|
20 |
3 |
p. 509-515
|
artikel
|
| 9 |
Effects of fused benzene rings on tautomerizations and inversions of benzo, azabenzo, and oxabenzocycloheptatrienes at theoretical levels
|
Kassaee, M. Z.
|
|
2009
|
20 |
3 |
p. 517-524
|
artikel
|
| 10 |
Experimental and DFT studies of ethyl N′-3-(1H-imidazol-1-yl) propylcarbamoyl benzohydrazonate monohydrate
|
Tanak, Hasan
|
|
2009
|
20 |
3 |
p. 409-416
|
artikel
|
| 11 |
FT-IR spectra, vibrational assignments, and density functional calculations of imidazo[1,2-a]pyridine molecule and its Zn(II) halide complexes
|
Yurdakul, Şenay
|
|
2009
|
20 |
3 |
p. 423-434
|
artikel
|
| 12 |
Glenn T. Seaborg; discoveries; and the capital of knowledge
|
Hargittai, Balazs
|
|
2009
|
20 |
3 |
p. 355-359
|
artikel
|
| 13 |
α-[Mn(O2CMe)2]: a two-dimensional coordination polymer of the anhydrous manganese acetate polymorphs
|
Lin, Jian
|
|
2009
|
20 |
3 |
p. 505-508
|
artikel
|
| 14 |
Molecular structure of N-chlorosuccinimide studied by gas-phase electron diffraction and quantum-chemical methods
|
Vishnevskiy, Yuri V.
|
|
2009
|
20 |
3 |
p. 435-442
|
artikel
|
| 15 |
Observation and interpretation of 157.5 T internal magnetic field in Fe[C(SiMe3)3]2 coordination compound
|
Kuzmann, Ernő
|
|
2009
|
20 |
3 |
p. 453-460
|
artikel
|
| 16 |
On the selenepin/benzene selenide valence tautomerizations: electronic and steric effects at theoretical levels
|
Kassaee, M. Z.
|
|
2008
|
20 |
3 |
p. 369-376
|
artikel
|
| 17 |
Structure and solid-state photochromic properties of two new compounds with pyrazolone-ring
|
Guo, Jixi
|
|
2009
|
20 |
3 |
p. 393-398
|
artikel
|
| 18 |
Synthesis, spectroscopic, and X-ray structural characterization of pharmacologically active substituted pyrazolyl-acetanilides
|
Zalaru, Christina
|
|
2009
|
20 |
3 |
p. 377-385
|
artikel
|
| 19 |
Synthesis, spectroscopic characterization, X-ray structure, and DFT calculations of [ReOBr2(hmquin-7-COOH)(AsPh3)]
|
Machura, B.
|
|
2008
|
20 |
3 |
p. 361-368
|
artikel
|
| 20 |
The first naphthodiazaphosphorinane in the solid phase; syntheses, spectroscopic studies and X-ray crystallography of some new 1,3,2-diheterophosphorus compounds
|
Gholivand, Khodayar
|
|
2009
|
20 |
3 |
p. 481-488
|
artikel
|
| 21 |
Theoretical studies of a singlet oxygen-releasing dioxapaddlane (1,4-diicosa naphthalene-1,4-endoperoxide)
|
Castillo, Alvaro
|
|
2009
|
20 |
3 |
p. 399-407
|
artikel
|
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