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The Journal of Chemical Physics|August 3, 2021
Ab initio multi-level layered elongation method and its application to local interaction analysis between DNA bulge and ligand moleculesKeisuke Hisama, Yuuichi Orimoto, Anna Pomogaeva, et al.The Journal of Chemical Physics|July 2, 2010
Insights into the ultraviolet spectrum of liquid water from model calculationsPaulo Cabral do Couto, Daniel M ChipmanThe Journal of Physical Chemistry. A|November 13, 2010
How does dielectric solvation affect the size of an ion?Paulo Cabral do Couto, Daniel M ChipmanThe Journal of Chemical Physics|November 21, 2012
Insights into the ultraviolet spectrum of liquid water from model calculations: the different roles of donor and acceptor hydrogen bonds in water pentamersPaulo Cabral do Couto, Daniel M ChipmanThe Journal of Chemical Physics|May 27, 2009
Band structures built by the elongation methodAnna Pomogaeva, Michael Springborg, Bernard Kirtman, et al.Journal of the American Chemical Society|May 9, 2008
Probing silver nanoparticles during catalytic H2 evolutionGetahun Merga, Laura C Cass, Daniel M Chipman, et al.Nature Communications|May 18, 2017
Vacuum ultraviolet spectroscopy of the lowest-lying electronic state in subcritical and supercritical waterTimothy W Marin, Ireneusz Janik, David M Bartels, et al.Physical Chemistry Chemical Physics : PCCP|April 22, 2021
Failure of molecular dynamics to provide appropriate structures for quantum mechanical description of the aqueous chloride ion charge-transfer-to-solvent ultraviolet spectrumTimothy W Marin, Ireneusz Janik, David M Bartels, et al.The Journal of Chemical Physics|February 12, 2015
Monocarbon cationic cluster yields from N2/CH4 mixtures embedded in He nanodroplets and their calculated binding energiesIogann Tolbatov, Peter Bartl, James Yurkovich, et al.Physical Chemistry Chemical Physics : PCCP|August 12, 2006
Advances in methods and algorithms in a modern quantum chemistry program packageYihan Shao, Laszlo Fusti Molnar, Yousung Jung, et al.Pageof 3