| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A priori identification of configurational deadwood
|
Bytautas, Laimutis
|
|
2009
|
356 |
1-3 |
p. 64-75
12 p.
|
artikel
|
| 2 |
Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models
|
Bast, Radovan
|
|
2009
|
356 |
1-3 |
p. 177-186
10 p.
|
artikel
|
| 3 |
Atomization energies from coupled-cluster calculations augmented with explicitly-correlated perturbation theory
|
Klopper, Wim
|
|
2009
|
356 |
1-3 |
p. 14-24
11 p.
|
artikel
|
| 4 |
4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compounds
|
Bast, Radovan
|
|
2009
|
356 |
1-3 |
p. 187-194
8 p.
|
artikel
|
| 5 |
Dissociative electron attachment to methyl chloride: A quasi-diatomic potential curve for the fragmentation of the metastable CH 3 Cl - anion
|
Mach, P.
|
|
2009
|
356 |
1-3 |
p. 164-170
7 p.
|
artikel
|
| 6 |
Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
|
Neese, Frank
|
|
2009
|
356 |
1-3 |
p. 98-109
12 p.
|
artikel
|
| 7 |
Electromagnetic fields in relativistic one-particle equations
|
Luber, Sandra
|
|
2009
|
356 |
1-3 |
p. 205-218
14 p.
|
artikel
|
| 8 |
Electron accepting abilities of arylborane derivatives: Effect of fluorine substituents
|
Peng, Bin
|
|
2009
|
356 |
1-3 |
p. 171-176
6 p.
|
artikel
|
| 9 |
Electron correlation, molecular properties and relativity – A tribute to Werner Kutzelnigg
|
van Wüllen, Christoph
|
|
2009
|
356 |
1-3 |
p. vii-ix
nvt p.
|
artikel
|
| 10 |
Evaluation of core and core–valence correlation contributions using the incremental scheme
|
Friedrich, Joachim
|
|
2009
|
356 |
1-3 |
p. 47-53
7 p.
|
artikel
|
| 11 |
Excited states of ReO 4 - : A comprehensive time-dependent relativistic density functional theory study
|
Xu, Wenhua
|
|
2009
|
356 |
1-3 |
p. 219-228
10 p.
|
artikel
|
| 12 |
Exploiting the flexibility of intermediate effective Hamiltonians
|
Heully, Jean-Louis
|
|
2009
|
356 |
1-3 |
p. 76-85
10 p.
|
artikel
|
| 13 |
Global analysis of the high resolution infrared spectrum of methane 12CH4 in the region from 0 to 4800cm−1
|
Albert, S.
|
|
2009
|
356 |
1-3 |
p. 131-146
16 p.
|
artikel
|
| 14 |
IFC (Editorial Board)
|
|
|
2009
|
356 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 15 |
Is size-consistency possible with density functional approximations?
|
Savin, Andreas
|
|
2009
|
356 |
1-3 |
p. 91-97
7 p.
|
artikel
|
| 16 |
On the concepts of connectivity, separability, and consistency: An illustration by partitioned diagrams and numerical probing
|
Hanrath, Michael
|
|
2009
|
356 |
1-3 |
p. 31-38
8 p.
|
artikel
|
| 17 |
On the eigenfunctions of the Douglas–Kroll operator
|
van Wüllen, Christoph
|
|
2009
|
356 |
1-3 |
p. 199-204
6 p.
|
artikel
|
| 18 |
On the one-particle basis set relaxation in R12 based theories
|
Noga, Jozef
|
|
2009
|
356 |
1-3 |
p. 1-6
6 p.
|
artikel
|
| 19 |
On the solution of the integral equation of the conductor-like screening model for real solvents
|
Franke, Robert
|
|
2009
|
356 |
1-3 |
p. 110-120
11 p.
|
artikel
|
| 20 |
Optimization of mixed quantum-classical dynamics: Time-derivative coupling terms and selected couplings
|
Pittner, Jiri
|
|
2009
|
356 |
1-3 |
p. 147-152
6 p.
|
artikel
|
| 21 |
Orbital instabilities and spin-symmetry breaking in coupled-cluster calculations of indirect nuclear spin–spin coupling constants
|
Auer, Alexander A.
|
|
2009
|
356 |
1-3 |
p. 7-13
7 p.
|
artikel
|
| 22 |
Quantitative structure–activity relations based on quantum theory and wavelet transformations
|
Beck, Michael E.
|
|
2009
|
356 |
1-3 |
p. 121-130
10 p.
|
artikel
|
| 23 |
Relativistic effects in K-shell ionizations: SAC-CI general-R study based on the DK2 Hamiltonian
|
Ehara, Masahiro
|
|
2009
|
356 |
1-3 |
p. 195-198
4 p.
|
artikel
|
| 24 |
Relativistic two-component calculations of electronic g-tensor for oxo-molybdenum(V) and oxo-tungsten(V) complexes: The important role of higher-order spin-orbit contributions
|
Hrobárik, Peter
|
|
2009
|
356 |
1-3 |
p. 229-235
7 p.
|
artikel
|
| 25 |
Resolutions of the Coulomb operator: II. The Laguerre generator
|
Gill, Peter M.W.
|
|
2009
|
356 |
1-3 |
p. 86-90
5 p.
|
artikel
|
| 26 |
Restricted magnetically balanced basis applied for relativistic calculations of indirect nuclear spin–spin coupling tensors in the matrix Dirac–Kohn–Sham framework
|
Repiský, Michal
|
|
2009
|
356 |
1-3 |
p. 236-242
7 p.
|
artikel
|
| 27 |
Ring current models for acetylene and ethylene molecules
|
Pelloni, Stefano
|
|
2009
|
356 |
1-3 |
p. 153-163
11 p.
|
artikel
|
| 28 |
Subject Index
|
|
|
2009
|
356 |
1-3 |
p. 243-247
5 p.
|
artikel
|
| 29 |
The geminal basis in explicitly correlated wave functions
|
Höfener, Sebastian
|
|
2009
|
356 |
1-3 |
p. 25-30
6 p.
|
artikel
|
| 30 |
The multi-reference retaining the excitation degree perturbation theory: A size-consistent, unitary invariant, and rapidly convergent wavefunction based ab initio approach
|
Fink, Reinhold F.
|
|
2009
|
356 |
1-3 |
p. 39-46
8 p.
|
artikel
|
| 31 |
Use of a convenient size-extensive normalization in multi-reference coupled cluster (MRCC) theory with incomplete model space: A novel valence universal MRCC formulation
|
Maitra, Rahul
|
|
2009
|
356 |
1-3 |
p. 54-63
10 p.
|
artikel
|
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