| 1 |
Decarbonising road transport with hydrogen and electricity: Long term global technology learning scenarios
Anandarajah G, McDowall W, Ekins P
International Journal of Hydrogen Energy, 38(8), 3419, 2013 |
| 2 |
Molecular and dissociative adsorption of water at low-index V2O5 surfaces: DFT studies using cluster surface models
Hejduk P, Szaleniec M, Witko M
Journal of Molecular Catalysis A-Chemical, 325(1-2), 98, 2010 |
| 3 |
A computational study of methane catalytic reactions on zeolites
Zheng XB, Blowers P
Journal of Molecular Catalysis A-Chemical, 246(1-2), 1, 2006 |
| 4 |
An ab initio study of ethane conversion reactions on zeolites using the complete basis set composite energy method
Zheng XB, Blowers P
Journal of Molecular Catalysis A-Chemical, 229(1-2), 77, 2005 |
| 5 |
Analytical energy gradients for local second-order Moller-Plesset perturbation theory
El Azhary A, Rauhut G, Pulay P, Werner HJ
Journal of Chemical Physics, 108(13), 5185, 1998 |
| 6 |
Orbital and shakeup operator renormalizations in electron propagator theory
Ortiz JV
Journal of Chemical Physics, 109(14), 5741, 1998 |
| 7 |
The 28-Electron Tetraatomic Molecules - N-4, Cn2O, Bfn2, C2O2, B2F2, Cbfo, C2Fn, and Bno2 - Challenges for Computational and Experimental Chemistry
Korkin AA, Balkova A, Bartlett RJ, Boyd RJ, Schleyer PV
Journal of Physical Chemistry, 100(14), 5702, 1996 |
| 8 |
The Accuracy of the Pseudopotential Approximation .1. An Analysis of the Spectroscopic Constants for the Electronic Ground-States of InCl and Incl3 Using Various 3 Valence Electron Pseudopotentials for Indium
Schwerdtfeger P, Fischer T, Dolg M, Igelmann G, Nicklass A, Stoll H, Haaland A
Journal of Chemical Physics, 102(5), 2050, 1995 |
| 9 |
Response Functions in the Cc3 Iterative Triple Excitation Model
Christiansen O, Koch H, Jorgensen P
Journal of Chemical Physics, 103(17), 7429, 1995 |
| 10 |
An Ab-Initio Study of the Structures and Harmonic Vibrational Frequencies of M(2)O(2) (M=al, Ga, in, Tl)
Archibong EF, Sullivan R
Journal of Physical Chemistry, 99(43), 15830, 1995 |
