화학공학소재연구정보센터
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No. Article
1 Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system
Errea I, Calandra M, Ickard CJP, Nelson JR, Needs RJ, Li YW, Liu HY, Zhang YW, Ma YM, Mauri F
Nature, 532(7597), 81, 2016
2 HIGH-PRESSURE PHYSICS Piling on the pressure
Pickard CJ, Needs RJ
Nature, 511(7509), 294, 2014
3 A Variational Monte Carlo Study of Positronic Compounds Using Inhomogeneous Backflow Transformations
Kita Y, Tachikawa M, Drummond ND, Needs RJ
Chemistry Letters, 39(11), 1136, 2010
4 Aluminium at terapascal pressures
Pickard CJ, Needs RJ
Nature Materials, 9(8), 624, 2010
5 Crystal Structure of Ammonia Monohydrate Phase II
Fortes AD, Suard E, Lemee-Cailleau MH, Pickard CJ, Needs RJ
Journal of the American Chemical Society, 131(37), 13508, 2009
6 Highly compressed ammonia forms an ionic crystal
Pickard CJ, Needs RJ
Nature Materials, 7(10), 775, 2008
7 Interpretation of Hund's multiplicity rule for the carbon atom
Hongo K, Maezono R, Kawazoe Y, Yasuhara H, Towler MD, Needs RJ
Journal of Chemical Physics, 121(15), 7144, 2004
8 Stability and arornaticity of BiNi rings and fullerenes
Matxain JM, Ugalde JM, Towler MD, Needs RJ
Journal of Physical Chemistry A, 107(46), 10004, 2003
9 Electronic excited-state wave functions for quantum Monte Carlo: Application to silane and methane
Porter AR, Al-Mushadani OK, Towler MD, Needs RJ
Journal of Chemical Physics, 114(18), 7795, 2001
10 Comment on "Quantum Monte Carlo study of the dipole moment of CO" [J. Chem. Phys. 110, 11700 (1999)]
Huang KC, Needs RJ, Rajagopal G
Journal of Chemical Physics, 112(9), 4419, 2000