近期论文
查看导师最新文章
（温馨提示：请注意重名现象，建议点开原文通过作者单位确认）
Hehn, A-S, Tew, DP & Klopper, W, 2015, ‘Explicitly correlated ring-coupled-cluster-doubles theory’. The Journal Chemical Physics, vol 142., pp. 194106
Zaleski, DP, Tew, DP, Walker, NR & Legon, AC, 2015, ‘Chemistry in laser-induced plasmas: formation of M-C≡C-Cl (M = Ag or Cu) and their characterization by rotational spectroscopy’. The Journal of Physical Chemistry A, vol 119., pp. 2919-25
Hill, JG, Legon, AC, Tew, DP & Walker, NR, 2015, ‘Halogen bonding in the gas phase: a comparison of the iodine bond in B?ICl and B?ICF3 for simple Lewis Bases B’. Current Topics in Medical Chemistry, vol 358., pp. 43-77
Bittner, DM, Zaleski, DP, Stephens, SL, Tew, DP, Walker, NR & Legon, AC, 2015, ‘A monomeric complex of ammonia and cuprous chloride: H3N?CuCl isolated and characterised by rotational spectroscopy and ab initio calculations’. The Journal Chemical Physics, vol 142., pp. 144302
Aidas, K, Angeli, C, Bak, KL, Bakken, V, Bast, R, Boman, L, Christiansen, O, Cimiraglia, R, Coriani, S, Dahle, P, Dalskov, EK, Ekstrom, U, Enevoldsen, T, Eriksen, JJ, Ettenhuber, P, Fernandez, B, Ferrighi, L, Fliegl, H, Frediani, L, Hald, K, Halkier, A, Hattig, C, Heiberg, H, Helgaker, T, Hennum, AC, Hettema, H, Hjertenaes, E, Host, S, Hoyvik, I-M, Iozzi, MF, Jansik, B, Jensen, HJA, Jonsson, D, Jorgensen, P, Kauczor, J, Kirpekar, S, Kjrgaard, T, Klopper, W, Knecht, S, Kobayashi, R & others 2014, ‘The Dalton quantum chemistry program system’. Wiley interdisciplinary reviews-Computational molecular science, vol 4., pp. 269-284
Glowacki, DR, O'Connor, M, Calabró, G, Price, J, Tew, P, Mitchell, T, Hyde, J, Tew, DP, Coughtrie, DJ & McIntosh-Smith, S, 2014, ‘A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors’. Faraday Discussions, vol 169., pp. 63-87
Glowacki, DR, O'Connor, M, Calabro, G, Price, JR, Tew, P, Mitchell, T, Jyde, J, Tew, DP, Coughtrie, DJ & McIntosh-Smith, SN, 2014, ‘A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors’.
Stephens, SL, Bittner, DM, Mikhailov, VA, Mizukami, W, Tew, DP, Walker, NR & Legon, AC, 2014, ‘Changes in the Geometries of C2H2 and C2H4 on Coordination to CuCl Revealed by Broadband Rotational Spectroscopy and ab-Initio Calculations’. Inorganic Chemistry, vol 53., pp. 10722-10730
Stephens, SL, Zaleski, DP, Mizukami, W, Tew, DP, Walker, NR & Legon, AC, 2014, ‘Distortion of ethyne on coordination to silver acetylide, C2H2 ... AgCCH, characterised by broadband rotational spectroscopy and ab initio calculations’. The Journal of Chemical Physics, vol 140.
Mizukami, W, Habershon, S & Tew, DP, 2014, ‘A compact and accurate semi-global potential energy surface for malonaldehyde from constrained least squares regression’. The Journal Chemical Physics, vol 141., pp. 144310
Coughtrie, DJ & Tew, DP, 2014, ‘The Nose-Hoover looped chain thermostat for low temperature thawed Gaussian wave-packet dynamics’. The Journal of Chemical Physics, vol 140.
Schmitz, G, Haettig, C & Tew, DP, 2014, ‘Explicitly correlated PNO-MP2 and PNO-CCSD and their application to the S66 set and large molecular systems’. Physical Chemistry Chemical Physics, vol 16., pp. 22167-22178
京公网安备 11010802027423号