Your search returned 45 results.

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	1.	On the subsystem formulation of linear-response time-dependent DFT. [electronic resource] by Pavanello, Michele Producer: 20140114 In: The Journal of chemical physics vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Quantifying Environmental Effects on the Decay of Hole Transfer Couplings in Biosystems. [electronic resource] by Ramos, Pablo Pavanello, Michele 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)
	3.	Revealing electronic open quantum systems with subsystem TDDFT. [electronic resource] by Krishtal, Alisa Pavanello, Michele Producer: 20160823 In: The Journal of chemical physics vol. 144 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	High-accuracy calculations of the ground, 1 1A1', and the 2 1A1', 2 3A1', and 1 1E' excited states of H3+. [electronic resource] by Pavanello, Michele Adamowicz, Ludwik Producer: 20090326 In: The Journal of chemical physics vol. 130 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Progress in calculating the potential energy surface of H3+. [electronic resource] by Adamowicz, Ludwik Pavanello, Michele Producer: 20121113 In: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences vol. 370 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Linking the historical and chemical definitions of diabatic states for charge and excitation energy transfer reactions in condensed phase. [electronic resource] by Pavanello, Michele Neugebauer, Johannes Producer: 20120207 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)
	7.	Constrained subsystem density functional theory. [electronic resource] by Ramos, Pablo Pavanello, Michele Producer: 20180131 In: Physical chemistry chemical physics : PCCP vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Nonlocal Subsystem Density Functional Theory. [electronic resource] by Mi, Wenhui Pavanello, Michele Producer: 20200103 In: The journal of physical chemistry letters vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Erratum: "Low-lying excited states by constrained DFT" [J. Chem. Phys. 148, 144103 (2018)]. [electronic resource] by Ramos, Pablo Pavanello, Michele Publication details: The Journal of chemical physics Mar 2020 In: The Journal of chemical physics vol. 152 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Modelling charge transfer reactions with the frozen density embedding formalism. [electronic resource] by Pavanello, Michele Neugebauer, Johannes Producer: 20120425 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)
	11.	Exploiting the locality of periodic subsystem density-functional theory: efficient sampling of the Brillouin zone. [electronic resource] by Genova, Alessandro Pavanello, Michele Producer: 20160826 In: Journal of physics. Condensed matter : an Institute of Physics journal vol. 27 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method. [electronic resource] by Sinha, Debalina Pavanello, Michele Producer: 20151110 In: The Journal of chemical physics vol. 143 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Low-lying excited states by constrained DFT. [electronic resource] by Ramos, Pablo Pavanello, Michele Producer: 20180611 In: The Journal of chemical physics vol. 148 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Quantum-mechanical studies of NMR properties of solutes in liquid crystals: a new strategy to determine orientational order parameters. [electronic resource] by Pavanello, Michele Mennucci, Benedetta Ferrarini, Alberta Producer: 20060517 In: The Journal of chemical physics vol. 122 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Periodic subsystem density-functional theory. [electronic resource] by Genova, Alessandro Ceresoli, Davide Pavanello, Michele Producer: 20150521 In: The Journal of chemical physics vol. 141 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Describing long-range charge-separation processes with subsystem density-functional theory. [electronic resource] by Solovyeva, Alisa Pavanello, Michele Neugebauer, Johannes Producer: 20150416 In: The Journal of chemical physics vol. 140 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Spin densities from subsystem density-functional theory: assessment and application to a photosynthetic reaction center complex model. [electronic resource] by Solovyeva, Alisa Pavanello, Michele Neugebauer, Johannes Producer: 20120925 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)
	18.	Subsystem real-time time dependent density functional theory. [electronic resource] by Krishtal, Alisa Ceresoli, Davide Pavanello, Michele Producer: 20150617 In: The Journal of chemical physics vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	FDE-vdW: A van der Waals inclusive subsystem density-functional theory. [electronic resource] by Kevorkyants, Ruslan Eshuis, Henk Pavanello, Michele Producer: 20150519 In: The Journal of chemical physics vol. 141 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical. [electronic resource] by Genova, Alessandro Ceresoli, Davide Pavanello, Michele Producer: 20170125 In: The Journal of chemical physics vol. 144 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 45 results.