| 1 |
Second-Order Moller-Plesset Calculations of Total Ground-State Energies of Tetrahedral and Octahedral Molecules at Equilibrium, Confronted with Some Model-Dependent Scaling Properties
Krishtal A, Van Alsenoy C, March NH
Journal of Physical Chemistry A, 115(45), 12998, 2011 |
| 2 |
Partitioning of Higher Multipole Polarizabilities: Numerical Evaluation of Transferability
Geldof D, Krishtal A, Geerlings P, Van Alsenoy C
Journal of Physical Chemistry A, 115(45), 13096, 2011 |
| 3 |
Alternative Kullback-Leibler Information Entropy for Enantiomers
Janssens S, Bultinck P, Borgoo A, Van Alsenoy C, Geerlings P
Journal of Physical Chemistry A, 114(1), 640, 2010 |
| 4 |
Variation of Ion Polarizability from Vacuum to Hydration: Insights from Hirshfeld Partitioning
Bauer BA, Lucas TR, Krishtal A, Van Alsenoy C, Patel S
Journal of Physical Chemistry A, 114(34), 8984, 2010 |
| 5 |
Analysis of experimental X-ray scattering from almost spherical molecules: Estimates of the influence of the force -partial derivative V-xc/partial derivative r, where V-xc(r) is the exchange-correlation potential of DFT for CH4 and NH4+
Van Alsenoy C, March NH
Chemical Physics Letters, 451(4-6), 309, 2008 |
| 6 |
Information Theoretical Study of Chirality: Enantiomers with One and Two Asymmetric Centra
Janssens S, Borgoo A, Van Alsenoy C, Geerlings P
Journal of Physical Chemistry A, 112(42), 10560, 2008 |
| 7 |
A computational study of the molecular structure of 1,3 lambda(4)delta(2),2,4-benzodithiadiazine
Tersago K, De Dobbelaere C, Van Alsenoy C, Blockhuys F
Chemical Physics Letters, 434(4-6), 200, 2007 |
| 8 |
Uniqueness and basis set dependence of iterative Hirshfeld charges
Bultinck P, Ayers PW, Fias S, Tiels K, Van Alsenoy C
Chemical Physics Letters, 444(1-3), 205, 2007 |
| 9 |
The electrochemistry of alkoxylated arylene vinylene oligomers: Oxidation potentials and diffusion coefficients
Baeke JK, Nowaczyk J, Moens M, Chen LJ, Dieltiens P, Geise HJ, Van Alsenoy C, Blockhuys F
Journal of Electroanalytical Chemistry, 599(1), 1, 2007 |
| 10 |
Molecular quantum similarity and chirality: Enantiomers with two asymmetric centra
Janssens S, Van Alsenoy C, Geerlings P
Journal of Physical Chemistry A, 111(16), 3143, 2007 |
