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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 26, 2011
Validation of DFT-based methods for predicting qualitative thermochemistry of large polyaromaticsKaren Hemelsoet, Freija De Vleeschouwer, Veronique Van Speybroeck, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 3, 2016
Spontaneous Double Hydrometallation Induced by N→M Coordination in Organometallic Hydrides of Group 14 ElementsMiroslav Novák, Libor Dostál, Jan Turek, et al.Physical Chemistry Chemical Physics : PCCP|February 15, 2020
Switching between Hückel and Möbius aromaticity: a density functional theory and information-theoretic approach studyDonghai Yu, Chunying Rong, Tian Lu, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 25, 2014
Hydrosilylation induced by N→Si intramolecular coordination: spontaneous transformation of organosilanes into 1-aza-silole-type molecules in the absence of a catalystMiroslav Novák, Libor Dostál, Mercedes Alonso, et al.Chemical Science|February 19, 2026
How to evaluate aromaticity under pressure? Benzene as a benchmark systemJochen Eeckhoudt, Alexander Dellwisch, Annelene Plump, et al.Journal of Computational Chemistry|April 8, 2026
Revisiting the Maximum Hardness Principle: A Quantitative Analysis on Reaction DatasetsAshima Bajaj, Farnaz Heidar-Zadeh, Thijs Stuyver, et al.The Journal of Chemical Physics|September 11, 2009
Excited state surfaces in density functional theory: a new twist on an old problemPaul Wiggins, J A Gareth Williams, David J TozerThe Journal of Chemical Physics|March 3, 2007
Transition metal NMR chemical shifts from optimized effective potentialsAndrew M Teale, Aron J Cohen, David J TozerThe Journal of Chemical Physics|June 15, 2007
Evaluation of in density functional theoryAron J Cohen, David J Tozer, Nicholas C HandyChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 10, 2022
Synergistic Effects in the Activity of Nano-Transition-Metal Clusters Pt12 M (M=Ir, Ru or Rh) for NO DissociationJelle Vekeman, Qing Wang, Xavier Deraet, et al.Pageof 26