| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A theoretical study about reactivity and spectroscopic properties of copper ions toward sulfur-containing species
|
De Oliveira, N.P.
|
|
2019
|
1149 |
C |
p. 69-77
|
artikel
|
| 2 |
Computational study of structural, vibrational and electronic properties of the highly symmetric molecules M4S6 (M = P, As, Sb, Bi)
|
Semidalas, E.
|
|
2019
|
1149 |
C |
p. 41-48
|
artikel
|
| 3 |
Distributed polarizability of fullerene [2+1]-adducts C60X n (n = 1 and 2) with symmetric addends X = CH2 and O: A fresh view on the effect of positional isomerism
|
Tukhbatullina, Alina A.
|
|
2019
|
1149 |
C |
p. 31-36
|
artikel
|
| 4 |
Editorial Board
|
|
|
2019
|
1149 |
C |
p. ii
|
artikel
|
| 5 |
Extrapolation functions for calculating stretching frequencies of local OH bonds of water molecules
|
Jeon, Kiyoung
|
|
2019
|
1149 |
C |
p. 37-40
|
artikel
|
| 6 |
Generalizing energy decomposition analysis to response properties to inform expedited predictive models
|
Lambrecht, Daniel S.
|
|
2019
|
1149 |
C |
p. 24-30
|
artikel
|
| 7 |
G3(MP2)//B3-SBK: A revision of a composite theory for calculations of thermochemical properties including some non-transition elements beyond the fourth period
|
Leal, Régis Casimiro
|
|
2019
|
1149 |
C |
p. 1-7
|
artikel
|
| 8 |
Lin@Tetracyanoethylene (n = 1–4) systems: Lithium salt vs lithium electride
|
Salehi, Navid
|
|
2019
|
1149 |
C |
p. 17-23
|
artikel
|
| 9 |
Pseudospectral method of solution of the Schrödinger equation for the Kratzer and pseudoharmonic potentials with nonclassical polynomials and applications to realistic diatom potentials
|
Bao, Jiayi
|
|
2019
|
1149 |
C |
p. 49-56
|
artikel
|
| 10 |
Structures and conformational dynamics of trans- and cis-crotonaldehydes in excited electronic states: A quantum-chemical study
|
Bokareva, O.S.
|
|
2019
|
1149 |
C |
p. 8-16
|
artikel
|
| 11 |
The effect of electric fields in methane hydrate growth and dissociation: A molecular dynamics simulation
|
Xu, Tingting
|
|
2019
|
1149 |
C |
p. 57-68
|
artikel
|
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