| 1 |
Conceptual chemistry approach towards the support effect in supported vanadium oxides: Valence bond calculations on the ionicity of vanadium catalysts
Fievez T, De Proft F, Geerlings P, Weckhuysen BM, Havenith RWA
Catalysis Today, 177(1), 3, 2011 |
| 2 |
Valence-electron structure and spontaneous polarization of KNbO3 in tetragonal ferroelectric phase
Yang XJ, Li SC, Li H
Materials Chemistry and Physics, 114(2-3), 728, 2009 |
| 3 |
Structure and Bonding in 2-diazo-4,6-dinitrophenol (DDNP)
Holl G, Klapotke TM, Polborn K, Rienacker C
Propellants Explosives Pyrotechnics, 28(3), 153, 2003 |
| 4 |
Synthesis, structure, molecular orbital and valence bond calculations for tetrazole azide, CHN7
Hammerl A, Klapotke TM, Noth H, Warchhold M, Holl G
Propellants Explosives Pyrotechnics, 28(4), 165, 2003 |
| 5 |
Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC Approach
Cooper DL, Stancil PC, Turner AR, Wang JG, Clarke NJ, Zygelman B
International Journal of Molecular Sciences, 3(3), 220, 2002 |
| 6 |
A nonorthogonal approach to perfect pairing
Voorhis TV, Head-Gordon M
Journal of Chemical Physics, 112(13), 5633, 2000 |
| 7 |
Electronic structure study of the N2O isomers using post-Hartree-Fock and density functional theory calculations
Wang F, Harcourt RD
Journal of Physical Chemistry A, 104(6), 1304, 2000 |
| 8 |
Sources of quantum protection in high-T-c superconductivity
Anderson PW
Science, 288(5465), 480, 2000 |
| 9 |
Calculation of atomization energies by a multiconfigurational localized perturbation theory - Application for closed shell cases
Dunietz BD, Murphy RB, Friesner RA
Journal of Chemical Physics, 110(4), 1921, 1999 |
| 10 |
SN2 interactions in substitution reactions and dissociative electron transfer
Kuznetsov AM
Journal of Physical Chemistry A, 103(9), 1239, 1999 |
