Optimized multiple quantum MAS lineshape simulations in solid state NMR. - William J. Brouwer; Michael C. Davis; Karl T. Mueller (Comput. Phys. Commun., 2009)

oreChem ChemXSeer: a semantic digital library for chemistry. - Na Li; Leilei Zhu; Prasenjit Mitra; Karl T. Mueller; Eric Poweleit; C. Lee Giles (JCDL, 2010)

ChemXSeer Digital Library Gaussian Search - Shibamouli Lahiri; Juan Pablo Fernández Ramírez; Shikha Nangia; Prasenjit Mitra; C. Lee Giles; Karl T. Mueller (CoRR, 2011)

Identifying, Indexing, and Ranking Chemical Formulae and Chemical Names in Digital Documents. - Bingjun Sun; Prasenjit Mitra; C. Lee Giles; Karl T. Mueller (ACM Trans. Inf. Syst., 2011)

Analysis of the bond-valence method for calculating 29Si and 31P magnetic shielding in covalent network solids. - Sean T. Holmes; Fahri Alkan; Robbie J. Iuliucci; Karl T. Mueller; Cecil Dybowski (J. Comput. Chem., 2016)

Calculations of solid-state 43Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals. - Sean T. Holmes; Shi Bai; Robbie J. Iuliucci; Karl T. Mueller; Cecil Dybowski (J. Comput. Chem., 2017)

An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions. - Rasha Atwi; Ying Chen; Keesung Han; Karl T. Mueller; Vijayakumar Murugesan; Nav Nidhi Rajput (Nat. Comput. Sci., 2022)