| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A barrier-free molecular radical-molecule reaction:
|
Zuo, Ming-Hui
|
|
|
118 |
2 |
p. 295-303
|
artikel
|
| 2 |
A barrier-free molecular radical-molecule reaction: $${^{3}C_{2} (a^{3}\Pi) {+} O_{2} (X^{3} \Sigma)}$$
|
Zuo, Ming-Hui
|
|
2007
|
118 |
2 |
p. 295-303
|
artikel
|
| 3 |
A relativistic 4-component general-order multi-reference coupled cluster method: initial implementation and application to HBr
|
Fleig, Timo
|
|
2007
|
118 |
2 |
p. 347-356
|
artikel
|
| 4 |
A study of influence of temperature and N, N-acyl protected keto ylides structure on their predominant transformations
|
Chuvashov, D. A.
|
|
2007
|
118 |
2 |
p. 363-369
|
artikel
|
| 5 |
A study of influence of temperature and N, N-acyl protected keto ylides structure on their predominant transformations
|
Chuvashov, D. A.
|
|
|
118 |
2 |
p. 363-369
|
artikel
|
| 6 |
Calculation of acidic dissociation constants in water: solvation free energy terms. Their accuracy and impact
|
Sadlej-Sosnowska, Nina
|
|
2007
|
118 |
2 |
p. 281-293
|
artikel
|
| 7 |
Calculation of acidic dissociation constants in water: solvation free energy terms. Their accuracy and impact
|
Sadlej-Sosnowska, Nina
|
|
|
118 |
2 |
p. 281-293
|
artikel
|
| 8 |
Can semi-empirical models describe HCl dissociation in water?
|
Arillo-Flores, O. I.
|
|
2007
|
118 |
2 |
p. 425-435
|
artikel
|
| 9 |
Can semi-empirical models describe HCl dissociation in water?
|
Arillo-Flores, O. I.
|
|
|
118 |
2 |
p. 425-435
|
artikel
|
| 10 |
Cationic dye dimers: a theoretical study
|
Homem-de-Mello, P.
|
|
|
118 |
2 |
p. 305-314
|
artikel
|
| 11 |
Cationic dye dimers: a theoretical study
|
Homem-de-Mello, P.
|
|
2007
|
118 |
2 |
p. 305-314
|
artikel
|
| 12 |
Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals
|
Hamilton, I. P.
|
|
|
118 |
2 |
p. 407-415
|
artikel
|
| 13 |
Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals
|
Hamilton, I. P.
|
|
2007
|
118 |
2 |
p. 407-415
|
artikel
|
| 14 |
Density functional theoretical study of A series of pentazolide compounds (A = B, Al, Si, P, and S; n = 1–3; q = +1, 0, −1, −2, and −3)
|
Li, Qian Shu
|
|
|
118 |
2 |
p. 399-405
|
artikel
|
| 15 |
Density functional theoretical study of A series of pentazolide compounds $$\hbox{A}_{\it n}(\hbox{N}_5)_{\rm 6-{\it n}}^{\it q}$$ (A = B, Al, Si, P, and S; n = 1–3; q = +1, 0, −1, −2, and −3)
|
Li, Qian Shu
|
|
2007
|
118 |
2 |
p. 399-405
|
artikel
|
| 16 |
DFT studies of the phosphinidene derivative HPNaF and its insertion reaction with R–H(R=F, OH, NH2, CH3)
|
Tan, Xiaojun
|
|
|
118 |
2 |
p. 357-362
|
artikel
|
| 17 |
DFT studies of the phosphinidene derivative HPNaF and its insertion reaction with R–H(R=F, OH, NH2, CH3)
|
Tan, Xiaojun
|
|
2007
|
118 |
2 |
p. 357-362
|
artikel
|
| 18 |
Free volume from molecular dynamics simulations and its relationships to the positron annihilation lifetime spectroscopy
|
Račko, Dušan
|
|
2007
|
118 |
2 |
p. 443-448
|
artikel
|
| 19 |
Free volume from molecular dynamics simulations and its relationships to the positron annihilation lifetime spectroscopy
|
Račko, Dušan
|
|
|
118 |
2 |
p. 443-448
|
artikel
|
| 20 |
On the electronegativity nonlocality paradox
|
Ayers, Paul W.
|
|
2007
|
118 |
2 |
p. 371-381
|
artikel
|
| 21 |
On the electronegativity nonlocality paradox
|
Ayers, Paul W.
|
|
|
118 |
2 |
p. 371-381
|
artikel
|
| 22 |
On the kinetic mechanism of reactions of hydroxyl radical with CHF2CH3 − nFn (n = 1–3)
|
Ji, Yue-meng
|
|
2007
|
118 |
2 |
p. 315-323
|
artikel
|
| 23 |
On the kinetic mechanism of reactions of hydroxyl radical with CHF2CH3 − nFn (n = 1–3)
|
Ji, Yue-meng
|
|
|
118 |
2 |
p. 315-323
|
artikel
|
| 24 |
Spectroscopy of sodium atom in liquid helium cluster: a symmetry adapted cluster-configuration interaction (SAC-CI) study
|
Saha, B.
|
|
|
118 |
2 |
p. 437-441
|
artikel
|
| 25 |
Spectroscopy of sodium atom in liquid helium cluster: a symmetry adapted cluster-configuration interaction (SAC-CI) study
|
Saha, B.
|
|
2007
|
118 |
2 |
p. 437-441
|
artikel
|
| 26 |
Theoretical study on structures and stability of triplet SiC3O isomers
|
Li, Fei
|
|
2007
|
118 |
2 |
p. 383-397
|
artikel
|
| 27 |
Theoretical study on structures and stability of triplet SiC3O isomers
|
Li, Fei
|
|
|
118 |
2 |
p. 383-397
|
artikel
|
| 28 |
Theoretical study on the mechanism of OH + HCNO reaction
|
Wang, Song
|
|
2007
|
118 |
2 |
p. 337-345
|
artikel
|
| 29 |
Theoretical study on the mechanism of OH + HCNO reaction
|
Wang, Song
|
|
|
118 |
2 |
p. 337-345
|
artikel
|
| 30 |
The solvation dynamics of Na+ and K+ ions in liquid methanol
|
Faralli, Cristian
|
|
2007
|
118 |
2 |
p. 417-423
|
artikel
|
| 31 |
The solvation dynamics of Na+ and K+ ions in liquid methanol
|
Faralli, Cristian
|
|
|
118 |
2 |
p. 417-423
|
artikel
|
| 32 |
Understanding the chemical reactivity of phenylhalocarbene systems: an analysis based on the spin-polarized density functional theory
|
Guerra, Doris
|
|
2007
|
118 |
2 |
p. 325-335
|
artikel
|
| 33 |
Understanding the chemical reactivity of phenylhalocarbene systems: an analysis based on the spin-polarized density functional theory
|
Guerra, Doris
|
|
|
118 |
2 |
p. 325-335
|
artikel
|
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