| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study on the mechanism of cycloaddition reaction between H2Si=Si: and formaldehyde
|
Lu, Xiuhui
|
|
2011
|
22 |
4 |
p. 857-864
|
artikel
|
| 2 |
A 2D network silver coordination polymer with the multimodal ligand 2-pyrazyl methyl ketazine
|
Sengul, Abdurrahman
|
|
2011
|
22 |
4 |
p. 925-929
|
artikel
|
| 3 |
Analyzing the efficiency of Mn–(C2H4) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials
|
Chakraborty, Arindam
|
|
2011
|
22 |
4 |
p. 823-837
|
artikel
|
| 4 |
A new photoproduct of 5-methylcytosine and adenine: a theoretical study
|
Meng, Fancui
|
|
2011
|
22 |
4 |
p. 951-955
|
artikel
|
| 5 |
A theoretical investigation on structures of tripodal thiourea derivatives and their anion recognition
|
Rakrai, Wandee
|
|
2011
|
22 |
4 |
p. 839-847
|
artikel
|
| 6 |
A theoretical investigation on the structures and stabilities of C60X18 and C70X10 (X = H, F, Cl, and Br)
|
Gao, Li-Xia
|
|
2011
|
22 |
4 |
p. 749-755
|
artikel
|
| 7 |
A theoretical study on the mechanism of a novel one-carbon unit transfer reaction
|
Zhu, Haiyan
|
|
2011
|
22 |
4 |
p. 901-907
|
artikel
|
| 8 |
[C5Li5]Mgn[C5Li5] (n = 2–8): novel sandwich complexes containing –Mg–Mg– chain
|
Wang, Jian-Ming
|
|
2011
|
22 |
4 |
p. 811-816
|
artikel
|
| 9 |
Computational studies on tetrazole derivatives as potential high energy materials
|
Ghule, Vikas D.
|
|
2011
|
22 |
4 |
p. 775-782
|
artikel
|
| 10 |
Coupled cluster study of structural properties of RgI and RgI− (Rg = He, Ne, Ar) weakly bound molecules
|
Pakhira, S.
|
|
2011
|
22 |
4 |
p. 893-900
|
artikel
|
| 11 |
DFT based insights into reactivity descriptors of encapsulated B24N24 nanocages
|
Karachi, Nima
|
|
2011
|
22 |
4 |
p. 805-809
|
artikel
|
| 12 |
Effect of electron donating substituents on supramolecular structure of salts having phenylphosphonic acid and pyrazoles
|
Singh, Udai P.
|
|
2011
|
22 |
4 |
p. 931-941
|
artikel
|
| 13 |
Explorations of the nature of the coupling interactions between vitamin C and methylglyoxal: a DFT study
|
Li, Ping
|
|
2011
|
22 |
4 |
p. 783-793
|
artikel
|
| 14 |
Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy
|
Puzyn, Tomasz
|
|
2011
|
22 |
4 |
p. 873-884
|
artikel
|
| 15 |
HNO(H2O)n (n = 1–4) clusters: a theoretical study
|
Solimannejad, Mohammad
|
|
2011
|
22 |
4 |
p. 865-871
|
artikel
|
| 16 |
Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models
|
Puzyn, Tomasz
|
|
2011
|
22 |
4 |
p. 795-804
|
artikel
|
| 17 |
Rhenium(V) oxocomplexes incorporating 2-(2H-benzotriazol-2-yl)-4,6-di-tert-pentylphenolate ligand: X-ray studies, spectroscopic characterization and DFT calculations
|
Machura, B.
|
|
2011
|
22 |
4 |
p. 765-774
|
artikel
|
| 18 |
Solvated potential energy surfaces for MePC
|
Soares, Cinthia S.
|
|
2011
|
22 |
4 |
p. 885-891
|
artikel
|
| 19 |
Stephen B. Libby and Karl A. van Bibber (eds.): Edward Teller centennial symposium: modern physics and the scientific legacy of Edward Teller
|
Hargittai, Balazs
|
|
2011
|
22 |
4 |
p. 957-960
|
artikel
|
| 20 |
Synthesis, crystal structure, supramolecular assembly, and thermal stability of two new lanthanide coordination polymers based on α-naphthoxyacetate
|
Fan, Jun
|
|
2011
|
22 |
4 |
p. 943-949
|
artikel
|
| 21 |
Synthesis of 5-acetyl-4,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2-thione and structural characterization of its polymorphs and complexes with 12-group metal iodides
|
Shutalev, Anatoly D.
|
|
2011
|
22 |
4 |
p. 849-855
|
artikel
|
| 22 |
Theoretical and crystallographic data investigations of noncovalent S···O interactions
|
Junming, Lu
|
|
2011
|
22 |
4 |
p. 757-763
|
artikel
|
| 23 |
Theoretical study of the neutral hydrolysis of methyl formate via a concerted and stepwise water-assisted mechanism using free-energy curves and molecular dynamics simulation
|
Tolosa Arroyo, S.
|
|
2011
|
22 |
4 |
p. 909-915
|
artikel
|
| 24 |
Theoretical study on the atmospheric formation of sulfur trioxide as the primary agent for acid rain
|
Vahedpour, Morteza
|
|
2011
|
22 |
4 |
p. 817-822
|
artikel
|
| 25 |
“There is no such animal (אין חיה כזו)”—Lessons of a discovery
|
Hargittai, Istvan
|
|
2011
|
22 |
4 |
p. 745-748
|
artikel
|
| 26 |
The structures and stability of pentacoordinate germylenoid PhCH2(NH2)CH3GeLiF
|
Qi, Yuhua
|
|
2011
|
22 |
4 |
p. 917-924
|
artikel
|
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