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The Journal of Physical Chemistry. A|February 15, 2022
Role of the Backbone when Optimizing Functional Groups─A Theoretical Study Based on an Improved Inverse-Design ApproachChencheng Fan, Mohammad Molayem, Michael Springborg, et al.Physical Chemistry Chemical Physics : PCCP|February 27, 2019
Application of an inverse-design method to optimizing porphyrins in dye-sensitized solar cellsChencheng Fan, Michael Springborg, Yaqing FengPhysical Chemistry Chemical Physics : PCCP|September 2, 2017
Surface effects on converse piezoelectricity of crystalsMohammad Molayem, Michael Springborg, Bernard KirtmanThe Journal of Chemical Physics|September 17, 2017
Electronic orbital response of regular extended and infinite periodic systems to magnetic fields. I. Theoretical foundations for static caseMichael Springborg, Mohammad Molayem, Bernard KirtmanMolecules (Basel, Switzerland)|November 13, 2021
Kinetics and Thermodynamics of CO Oxidation by (TiO2)6Navjot Kaur, Neetu Goel, Michael Springborg, et al.The Journal of Chemical Physics|December 24, 2017
From properties to materials: An efficient and simple approachKai Huwig, Chencheng Fan, Michael SpringborgJournal of Molecular Graphics & Modelling|July 19, 2020
Optimizing small conjugated molecules for solar-cell applications using an inverse-design methodAbdullah S Khazaal, Michael Springborg, Chencheng Fan, et al.Molecules (Basel, Switzerland)|April 13, 2023
Properties of Naked Silver Clusters with Up to 100 Atoms as Found with Embedded-Atom and Density-Functional CalculationsShivangi Garg, Navjot Kaur, Neetu Goel, et al.Physical Chemistry Chemical Physics : PCCP|November 3, 2015
Application-oriented computational studies on a series of D-π-A structured porphyrin sensitizers with different electron-donor groupsChencheng Fan, Bao Zhang, Yuanchao Li, et al.The Journal of Physical Chemistry. A|August 22, 2019
Electrostatics-Assisted Building-Up Procedure for Capturing Energy Minima of Metal Clusters: Test Case of Ag ClustersPrateek Ahuja, Mohammad Molayem, Shridhar R GadrePageof 12