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Journal Articles
- 2022
[j5]Rasha Atwi
, Ying Chen, Keesung Han, Karl T. Mueller, Vijayakumar Murugesan, Nav Nidhi Rajput:
An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions. Nat. Comput. Sci. 2(2): 112-122 (2022)- 2017
- [j4]Sean T. Holmes, Shi Bai, Robbie J. Iuliucci, Karl T. Mueller, Cecil Dybowski:
Calculations of solid-state 43Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals. J. Comput. Chem. 38(13): 949-956 (2017) - 2016
- [j3]Sean T. Holmes, Fahri Alkan, Robbie J. Iuliucci, Karl T. Mueller, Cecil Dybowski:
Analysis of the bond-valence method for calculating 29Si and 31P magnetic shielding in covalent network solids. J. Comput. Chem. 37(18): 1704-1710 (2016) - 2011
- [j2]Bingjun Sun, Prasenjit Mitra, C. Lee Giles, Karl T. Mueller:
Identifying, Indexing, and Ranking Chemical Formulae and Chemical Names in Digital Documents. ACM Trans. Inf. Syst. 29(2): 12:1-12:38 (2011) - 2009
- [j1]William J. Brouwer, Michael C. Davis, Karl T. Mueller:
Optimized multiple quantum MAS lineshape simulations in solid state NMR. Comput. Phys. Commun. 180(10): 1973-1982 (2009)
Conference and Workshop Papers
- 2010
- [c1]Na Li, Leilei Zhu, Prasenjit Mitra, Karl T. Mueller, Eric Poweleit, C. Lee Giles:
oreChem ChemXSeer: a semantic digital library for chemistry. JCDL 2010: 245-254
Informal and Other Publications
- 2011
- [i1]Shibamouli Lahiri, Juan Pablo Fernández Ramírez, Shikha Nangia, Prasenjit Mitra, C. Lee Giles, Karl T. Mueller:
ChemXSeer Digital Library Gaussian Search. CoRR abs/1104.4601 (2011)
Coauthor Index
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