| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Ab initio characterization of XH3 (X = N,P). Part II. Electric, magnetic and spectroscopic properties of ammonia and phosphine
|
Puzzarini, Cristina
|
|
2008
|
121 |
1-2 |
p. 1-10
|
article
|
| 2 |
A charge iteration-corrected extended-Hückel study of the electronic and spectroscopic properties of conjugated heterocycles
|
Castevens, Charles M.
|
|
2008
|
121 |
1-2 |
p. 43-52
|
article
|
| 3 |
A quantum mechanical study of the stability and structural properties of substituted acylthiourea compounds
|
Woldu, Mengistu Ghebreysus
|
|
2008
|
121 |
1-2 |
p. 71-82
|
article
|
| 4 |
Chipot, C., Pohorille, A., Eds. Free Energy Calculations: Theory and Applications in Chemistry and Biology
|
Truhlar, Donald G.
|
|
2008
|
121 |
1-2 |
p. 105-106
|
article
|
| 5 |
Effect of molecular size on the parity-non-conserving contributions to the nuclear magnetic resonance shielding constant
|
Weijo, Ville
|
|
2008
|
121 |
1-2 |
p. 53-57
|
article
|
| 6 |
Explicitly correlated second-order perturbation theory calculations on molecules containing heavy main-group elements
|
Bischoff, Florian A.
|
|
2008
|
121 |
1-2 |
p. 11-19
|
article
|
| 7 |
Kaplan, I. G.: Intermolecular Interactions: Physical Picture, Computational Methods, and Model Potentials
|
Truhlar, Donald G.
|
|
2008
|
121 |
1-2 |
p. 103
|
article
|
| 8 |
Lithium–silicon SinLi (n = 2–10) clusters and their anions: structures, thermochemistry, and electron affinities
|
Yang, Ju-Cai
|
|
2008
|
121 |
1-2 |
p. 83-90
|
article
|
| 9 |
Origin of threefold methyl torsional potential in methylindoles
|
Sinha, Rajeev K.
|
|
2008
|
121 |
1-2 |
p. 59-70
|
article
|
| 10 |
Theoretical investigations on structure, electrostatics potentials and vibrational frequencies of Li+–CH3–O–(CH2–CH2–O)n–CH3(n = 3–7) conformers
|
Dhumal, Nilesh R.
|
|
2008
|
121 |
1-2 |
p. 107
|
article
|
| 11 |
Theoretical studies on the properties of uracil and its dimer upon thioketo substitution
|
Wang, Weihua
|
|
2008
|
121 |
1-2 |
p. 21-31
|
article
|
| 12 |
Theoretical study of the reaction of ethynyl radical with acetonitrile
|
Sun, Jing-Yu
|
|
2008
|
121 |
1-2 |
p. 33-41
|
article
|
| 13 |
Thermal [1,3] sigmatropic rearrangements of bicyclic and tricyclic vinylcyclobutanes: a gray zone between the concerted and stepwise extremes
|
Tao, Hai-Rong
|
|
2008
|
121 |
1-2 |
p. 91-101
|
article
|
Journal description