| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A revised formulation of the generalized subsystem vibrational analysis (GSVA)
|
Tao, Yunwen
|
|
|
140 |
3 |
|
artikel
|
| 2 |
Barium strontium titanate-based perovskite materials from DFT perspective: assessing the structural, electronic, vibrational, dielectric and energetic properties
|
Mesquita, Weber Duarte
|
|
|
140 |
3 |
|
artikel
|
| 3 |
Charge and energy sharing in the fragmentation of astrophysically relevant carbon clusters
|
Aguirre, Néstor F.
|
|
|
140 |
3 |
|
artikel
|
| 4 |
Determination of stable structure of a cluster using convolutional neural network and particle swarm optimization
|
Mitra, Arka
|
|
|
140 |
3 |
|
artikel
|
| 5 |
Distance degree vector and scalar sequences of corona and lexicographic products of graphs with applications to dynamic NMR and dynamics of nonrigid molecules and proteins
|
Huilgol, Medha Itagi
|
|
|
140 |
3 |
|
artikel
|
| 6 |
Electronic transitions in Rb2+ dimers solvated in helium
|
Albertini, Simon
|
|
|
140 |
3 |
|
artikel
|
| 7 |
Nuclear magnetic resonance parameters in Zn2, Cd2 and Hg2 dimers: relativistic calculations
|
Jakubowska, Katarzyna
|
|
|
140 |
3 |
|
artikel
|
| 8 |
Obituary for Rudolf Zahradník (1928–2020): “To Do What’s Right”
|
Schwarz, Helmut
|
|
|
140 |
3 |
|
artikel
|
| 9 |
Symmetry-adapted density fitting in auxiliary density functional theory
|
Carranza, Adrián A. M.
|
|
|
140 |
3 |
|
artikel
|
| 10 |
The energy components of the extended transition state energy decomposition analysis are path functions: the case of water tetramer
|
Solà, Miquel
|
|
|
140 |
3 |
|
artikel
|
| 11 |
The metastable structures of anthracene-argon clusters inside helium nanodroplets
|
Calvo, Florent
|
|
|
140 |
3 |
|
artikel
|
| 12 |
Treating nuclei in molecules with quantum mechanical respect
|
Sutcliffe, Brian
|
|
|
140 |
3 |
|
artikel
|
| 13 |
Using the Gini coefficient to characterize the shape of computational chemistry error distributions
|
Pernot, Pascal
|
|
|
140 |
3 |
|
artikel
|
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