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Journal of Molecular Modeling|September 23, 2018
When finite becomes infinite: convergence properties of vibrational spectra of oligomer chainsChien-Pin Chou, Henryk Witek, Stephan Irle
Journal of Molecular Modeling|September 9, 2018
Optical properties of anatase TiO2: synergy between transition metal doping and oxygen vacanciesJulio César González-Torres, Luis A Cipriano, Enrique Poulain, et al.
Journal of Molecular Modeling|October 11, 2018
Theoretical investigation of the regioselective ring opening of 2-methylaziridine. Lewis acid effectEmna Cherni, Khaled Essalah, Néji Besbes, et al.
Journal of Molecular Modeling|October 12, 2018
On the best partitioning of the density functional energyMel Levy
Journal of Molecular Modeling|February 27, 2022
Mechanistic elucidation of the tandem Diels-Alder/(3 + 2) cycloadditions in the design and syntheses of heterosteroidsBenedicta Donkor, Abdul Rashid Umar, Ernest Opoku
Journal of Molecular Modeling|March 6, 2022
Molecular Simulations to Understand the Moisture, Carbon Dioxide, and Oxygen Barrier Properties of Pectin FilmsYamini Sudha Sistla, Shumyla Mehraj
Journal of Molecular Modeling|July 25, 2018
Electronegativity-a perspectivePeter Politzer, Jane S Murray
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