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Physical Chemistry Chemical Physics : PCCP|December 24, 2014
Subsystem-DFT potential-energy curves for weakly interacting systemsDanny Schlüns, Kevin Klahr, Christian Mück-Lichtenfeld, et al.Journal of Chemical Theory and Computation|December 1, 2015
Arbitrary-Order Density Functional Response Theory from Automatic DifferentiationUlf Ekström, Lucas Visscher, Radovan Bast, et al.The Journal of Chemical Physics|September 4, 2012
The electronic spectrum of CUONg4 (Ng = Ne, Ar, Kr, Xe): new insights in the interaction of the CUO molecule with noble gas matricesPaweł Tecmer, Henk van Lingen, André Severo Pereira Gomes, et al.The Journal of Chemical Physics|November 20, 2004
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarizationG Theodoor de Jong, Miquel Solà, Lucas Visscher, et al.The Journal of Chemical Physics|November 17, 2016
Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight bindingRobert Rüger, Thomas Niehaus, Erik van Lenthe, et al.The Journal of Chemical Physics|September 1, 2006
The nuclear electric quadrupole moment of antimony from the molecular methodRoberto L A Haiduke, Albérico B F da Silva, Lucas VisscherPhysical Chemistry Chemical Physics : PCCP|June 2, 2023
Correction: Automated assessment of redox potentials for dyes in dye-sensitized photoelectrochemical cellsJelena Belić, Arno Förster, Jan Paul Menzel, et al.Physical Chemistry Chemical Physics : PCCP|June 18, 2013
Fluorescence behavior of (selected) flavonols: a combined experimental and computational studySebastian Höfener, Pieter C Kooijman, Janneke Groen, et al.The Journal of Chemical Physics|May 6, 2010
Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bondsSamuel Fux, Christoph R Jacob, Johannes Neugebauer, et al.The Journal of Chemical Physics|February 2, 2010
The weak covalent bond in NgAuF (Ng=Ar, Kr, Xe): A challenge for subsystem density functional theoryS Maya Beyhan, Andreas W Götz, Christoph R Jacob, et al.Pageof 16