Eric G. Kratz, Ph.D. - Publications
Affiliations: | Chemistry | University of Pittsburgh, Pittsburgh, PA, United States |
Area:
Theoretical ChemistryYear | Citation | Score | |||
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2018 | Gokcan H, Kratz EG, Darden TA, Piquemal JP, Cisneros GA. QM/MM Simulations with the Gaussian Electrostatic Model, A Density-Based Polarizable Potential. The Journal of Physical Chemistry Letters. PMID 29775314 DOI: 10.1021/Acs.Jpclett.8B01412 | 0.48 | |||
2016 | Kratz EG, Duke RE, Cisneros GA. Long-range electrostatic corrections in multipolar/polarizable QM/MM simulations. Theoretical Chemistry Accounts. 135. PMID 28367078 DOI: 10.1007/S00214-016-1923-8 | 0.663 | |||
2016 | Kratz EG, Walker AR, Lagardère L, Lipparini F, Piquemal JP, Andrés Cisneros G. LICHEM: A QM/MM program for simulations with multipolar and polarizable force fields. Journal of Computational Chemistry. 37: 1019-29. PMID 26781073 DOI: 10.1002/Jcc.24295 | 0.644 | |||
2016 | Gamage NH, Stiasny B, Kratz EG, Stierstorfer J, Martin PD, Cisneros GA, Klapötke TM, Winter CH. Energetic Materials Trends in 5- and 6-Membered Cyclic Peroxides Containing Hydroperoxy and Hydroxy Substituents European Journal of Inorganic Chemistry. 2016: 5036-5043. DOI: 10.1002/Ejic.201600767 | 0.514 | |||
2015 | Bellow JA, Yousif M, Fang D, Kratz EG, Cisneros GA, Groysman S. Synthesis and Reactions of 3d Metal Complexes with the Bulky Alkoxide Ligand [OC(t)Bu2Ph]. Inorganic Chemistry. 54: 5624-33. PMID 26043187 DOI: 10.1021/Acs.Inorgchem.5B00795 | 0.53 | |||
2014 | Heine N, Kratz EG, Bergmann R, Schofield DP, Asmis KR, Jordan KD, McCoy AB. Vibrational spectroscopy of the water-nitrate complex in the O-H stretching region. The Journal of Physical Chemistry. A. 118: 8188-97. PMID 24746257 DOI: 10.1021/Jp500964J | 0.464 | |||
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