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	1.	Linear-scaling density functional theory using the projector augmented wave method. [electronic resource] by Hine, Nicholas D M Producer: 20180208 In: Journal of physics. Condensed matter : an Institute of Physics journal vol. 29 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Applications of large-scale density functional theory in biology. [electronic resource] by Cole, Daniel J Hine, Nicholas D M Producer: 20180206 In: Journal of physics. Condensed matter : an Institute of Physics journal vol. 28 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Multipurpose Black-Phosphorus/hBN Heterostructures. [electronic resource] by Constantinescu, Gabriel C Hine, Nicholas D M Producer: 20160909 In: Nano letters vol. 16 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Calculating dispersion interactions using maximally localized Wannier functions. [electronic resource] by Andrinopoulos, Lampros Hine, Nicholas D M Mostofi, Arash A Producer: 20120215 In: The Journal of chemical physics vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Pulay forces from localized orbitals optimized in situ using a psinc basis set. [electronic resource] by Ruiz-Serrano, Álvaro Hine, Nicholas D M Skylaris, Chris-Kriton Producer: 20121105 In: The Journal of chemical physics vol. 136 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Hybrid MPI-OpenMP Parallelism in the ONETEP Linear-Scaling Electronic Structure Code: Application to the Delamination of Cellulose Nanofibrils. [electronic resource] by Wilkinson, Karl A Hine, Nicholas D M Skylaris, Chris-Kriton Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Electrostatic interactions in finite systems treated with periodic boundary conditions: application to linear-scaling density functional theory. [electronic resource] by Hine, Nicholas D M Dziedzic, Jacek Haynes, Peter D Skylaris, Chris-Kriton Producer: 20120319 In: The Journal of chemical physics vol. 135 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Unravelling the Roles of Size, Ligands, and Pressure in the Piezochromic Properties of CdS Nanocrystals. [electronic resource] by Corsini, Niccolò R C Hine, Nicholas D M Haynes, Peter D Molteni, Carla Producer: 20180410 In: Nano letters vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Dimensionality of carbon nanomaterials determines the binding and dynamics of amyloidogenic peptides: multiscale theoretical simulations. [electronic resource] by Todorova, Nevena Makarucha, Adam J Hine, Nicholas D M Mostofi, Arash A Yarovsky, Irene Producer: 20140819 In: PLoS computational biology vol. 9 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Self-assembly of bis-salphen compounds: from semiflexible chains to webs of nanorings. [electronic resource] by Pyrlin, Sergey V Hine, Nicholas D M Kleij, Arjan W Ramos, Marta M D Producer: 20180730 In: Soft matter vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Bromophenyl functionalization of carbon nanotubes: an ab initio study. [electronic resource] by Janssen, Jonathan Laflamme Beaudin, Jason Hine, Nicholas D M Haynes, Peter D Côté, Michel Producer: 20140611 In: Nanotechnology vol. 24 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Simulations of nanocrystals under pressure: combining electronic enthalpy and linear-scaling density-functional theory. [electronic resource] by Corsini, Niccolò R C Greco, Andrea Hine, Nicholas D M Molteni, Carla Haynes, Peter D Producer: 20140318 In: The Journal of chemical physics vol. 139 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Electrostatic considerations affecting the calculated HOMO-LUMO gap in protein molecules. [electronic resource] by Lever, Greg Cole, Daniel J Hine, Nicholas D M Haynes, Peter D Payne, Mike C Producer: 20130912 In: Journal of physics. Condensed matter : an Institute of Physics journal vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Toward Ab Initio Optical Spectroscopy of the Fenna-Matthews-Olson Complex. [electronic resource] by Cole, Daniel J Chin, Alex W Hine, Nicholas D M Haynes, Peter D Payne, Mike C Producer: 20150926 In: The journal of physical chemistry letters vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Nonradiative Step Facets in Semiconductor Nanowires. [electronic resource] by Sanchez, Ana M Zhang, Yunyan Tait, Edward W Hine, Nicholas D M Liu, Huiyun Beanland, Richard Producer: 20180919 In: Nano letters vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Importance of many-body effects in the Kernel of hemoglobin for ligand binding. [electronic resource] by Weber, Cédric O'Regan, David D Hine, Nicholas D M Littlewood, Peter B Kotliar, Gabriel Payne, Mike C Producer: 20130524 In: Physical review letters vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Vanadium dioxide: a Peierls-Mott insulator stable against disorder. [electronic resource] by Weber, Cédric O'Regan, David D Hine, Nicholas D M Payne, Mike C Kotliar, Gabriel Littlewood, Peter B Producer: 20121212 In: Physical review letters vol. 108 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Evidence of Correlated Static Disorder in the Fenna-Matthews-Olson Complex. [electronic resource] by Fokas, Alexander S Cole, Daniel J Hine, Nicholas D M Wells, Stephen A Payne, Michael C Chin, Alex W Producer: 20180205 In: The journal of physical chemistry letters vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Tensor network simulation of multi-environmental open quantum dynamics via machine learning and entanglement renormalisation. [electronic resource] by Schröder, Florian A Y N Turban, David H P Musser, Andrew J Hine, Nicholas D M Chin, Alex W Producer: 20190326 In: Nature communications vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Tuning the role of charge-transfer states in intramolecular singlet exciton fission through side-group engineering. [electronic resource] by Lukman, Steven Chen, Kai Hodgkiss, Justin M Turban, David H P Hine, Nicholas D M Dong, Shaoqiang Wu, Jishan Greenham, Neil C Musser, Andrew J Producer: 20180824 In: Nature communications vol. 7 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 25 results.