Datasets
- 21 results
Search results
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Supporting Data for "From Order to Disorder: Computational Design of Triblock Amphiphiles with 1 nm Domains"
Shen, Z., Chen, J., Vernadskaia, V., Ertem, S. P., Mahanthappa, M., Hillmyer, M. A., Reineke, T. M., Lodge, T. & Siepmann, I., Data Repository for the University of Minnesota, May 11 2020
DOI: 10.13020/7zcr-w347
Dataset
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Supporting Data for Internal Structure of Methylcellulose Fibrils
Schmidt, P. W., Morozova, S., Ertem, S. P., Coughlin, M. L., Davidovich, I., Talmon, Y., Reineke, T. M., Bates, F. S. & Lodge, T., Data Repository for the University of Minnesota, Jan 2 2020
DOI: 10.13020/4gms-4q97
Dataset
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Poly(isoprenecarboxylates) from Glucose via Anhydromevalonolactone
Ball-Jones, N., Fahnhorst, G. W. & Hoye, T. R., Data Repository for the University of Minnesota, 2018
DOI: 10.13020/D6FH5H, https://doi.org/10.13020/D6FH5H
Dataset
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Supporting data for Consequences of Grafting Density on the Linear Viscoelastic Behavior of Graft Polymers
Bates, F. S., Chang, A. B., Grubbs, R. H., Haugan, I. N., Hillmyer, M. A., Lin, T. & Maher, M. J., Data Repository for the University of Minnesota, 2018
DOI: 10.13020/D6T97M, https://doi.org/10.13020/D6T97M
Dataset
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Entropically-driven macrolide polymerizations for the synthesis of aliphatic polyester copolymers using titanium isopropoxide
Hillmyer, M. A., Amador, A. G., Watts, A. & Neitzel, A. E., Data Repository for the University of Minnesota, Mar 11 2019
DOI: 10.13020/6qe9-kv23, https://doi.org/10.13020/6qe9-kv23
Dataset
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Supporting Data for “Why So Slow? Mechanistic Insights from Studies of a Poor Catalyst for Polymerization of ε-Caprolactone”
Cramer, C., Mandal, M., Mitchell, L. A., Neisen, B. D., Stasiw, D. E. & Tolman, W., Data Repository for the University of Minnesota, 2017
DOI: 10.13020/D6F60H, https://doi.org/10.13020/D6F60H
Dataset
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geometries and output files for CMS-PDFT gradient paper
Bao, J., Hermes, M. R., Scott, T. R., Sand, A. M., Lindh, R., Gagliardi, L. & Truhlar, D. G., ZENODO, May 30 2022
DOI: 10.5281/zenodo.7020288, https://zenodo.org/record/7020288
Dataset
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SHARC3.0: Surface Hopping Including Arbitrary Couplings – Program Package for Non-Adiabatic Dynamics
Mai, S., Avagliano, D., Heindl, M., Marquetand, P., Menger, M. F. S. J., Oppel, M., Plasser, F., Polonius, S., Ruckenbauer, M., Shu, Y., Truhlar, D. G., Zhang, L., Zobel, P. & González, L., ZENODO, Apr 14 2023
DOI: 10.5281/zenodo.7828641, https://zenodo.org/record/7828641
Dataset
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SHARC-MN v3.0
Shu, Y., Zhang, L. & Truhlar, D. G., ZENODO, Dec 10 2023
DOI: 10.5281/zenodo.10344984, https://zenodo.org10344984
Dataset
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Thermal Processing of Diblock Copolymer Melts Mimics Metallurgy
Arora, A., Bates, F. S., Dorfman, K., Hillmyer, M. A., Kim, K., Lewis III, R. M. & Schulze, M. W., Data Repository for the University of Minnesota, 2017
DOI: 10.13020/D6QK5P, https://doi.org/10.13020/D6QK5P
Dataset
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Supporting data for Polymeric medical sutures: An exploration of polymers and green chemistry
Distefano, M. D., Javner, C. H., Knutson, C. M., Schneiderman, D. K., Wissinger, J. E. & Yu, M., Data Repository for the University of Minnesota, 2018
http://hdl.handle.net/11299/192814
Dataset
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Supporting Data for “Renewable, Degradable, and Chemically Recyclable Cross-Linked Elastomers”
Brutman, J. P., De Hoe, G. X., Hillmyer, M. A., Le, T. & Schneiderman, D. K., Data Repository for the University of Minnesota, 2017
DOI: 10.13020/D6V599, https://doi.org/10.13020/D6V599
Dataset
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MOPAC 5.022mn
Stewart, J. J. P., Fiedlet, L. J., Zheng, J., Rossi, I., Hu, W., Lynch, G. C., Liu, Y., Zhang, P., Chuang, Y., Pu, J., Li, J., Fast, P. L., Cramer, C. J., Gao, J. & Truhlar, D. G., ZENODO, Jul 16 2023
DOI: 10.5281/zenodo.8153079, https://zenodo.org/record/8153079
Dataset
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Polyrate 2023: A Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics.
Meana-Pañeda, R., Zheng, J., Bao, J. L., Zhang, S., Lynch, B. J., Corchado, J. C., Chuang, Y., Fast, P. L., Hu, W., Liu, Y., Lynch, G. C., Nguyen, K. A., Jackels, C. F., Fernandez Ramos, A., Ellingson, B. A., Melissas, V. S., Villà, J., Rossi, I., Coitiño, E. L., Pu, J., Albu, T. V., Zhang, R. M., Xu, X., Ratkiewicz, A., Steckler, R., Garrett, B. C., Isaacson, A. D. & Truhlar, D. G., ZENODO, Sep 1 2023
DOI: 10.5281/zenodo.8309384, https://zenodo.org/record/8309384
Dataset
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ANT 2023: A Program for Adiabatic and Nonadiabatic Trajectories
Shu, Y., Zhang, L., Zheng, J., Li, Z. H., Jasper, A. W., Bonhommeau, D. A., Valero, R., Meana-Pañeda, R., Mielke, S. L., Varga, Z. & Truhlar, D. G., ZENODO, Apr 7 2023
DOI: 10.5281/zenodo.7807407, https://zenodo.org/record/7807407
Dataset
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SHARC-MN v2.0
Shu, Y., Zhang, L. & Truhlar, D. G., ZENODO, Apr 11 2023
DOI: 10.5281/zenodo.7818894, https://zenodo.org/record/7818894
Dataset
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Polyrate 2023: A Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics.
Meana-Pañeda, R., Zheng, J., Bao, J. L., Zhang, S., Lynch, B. J., Corchado, J. C., Chuang, Y., Fast, P. L., Hu, W., Liu, Y., Lynch, G. C., Nguyen, K. A., Jackels, C. F., Fernandez Ramos, A., Ellingson, B. A., Melissas, V. S., Villà, J., Rossi, I., Coitiño, E. L., Pu, J., Albu, T. V., Zhang, R. M., Xu, X., Ratkiewicz, A., Steckler, R., Garrett, B. C., Isaacson, A. D. & Truhlar, D. G., ZENODO, Aug 4 2023
DOI: 10.5281/zenodo.8213313, https://zenodo.org/record/8213313
Dataset
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Supplementary Data for "Influence of First And Second Coordination Environment on Structural Fe(II) Sites in MIL-101 for C-H Bond Activation in Methane"
Vitillo, J. G., Lu, C. C., Cramer, C., Bhan, A. & Gagliardi, L., ZENODO, Nov 22 2020
DOI: 10.5281/zenodo.4256607, https://zenodo.org/record/4256607
Dataset
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geometries and output files for CMS-PDFT gradient paper
Bao, J., Hermes, M. R., Scott, T. R., Sand, A. M., Lindh, R., Gagliardi, L. & Truhlar, D. G., ZENODO, May 30 2022
DOI: 10.5281/zenodo.6596227, https://zenodo.org/record/6596227
Dataset
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TUMME 2023: An Open-Source Master Equation Program for Chemical Kinetics
Zhang, R. M., Xu, X. & Truhlar, D. G., ZENODO, May 17 2023
DOI: 10.5281/zenodo.7943284, https://zenodo.org/record/7943284
Dataset
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ANT 2023.B: A Program for Adiabatic and Nonadiabatic Trajectories
Shu, Y., Zhang, L., Zheng, J., Li, Z. H., Jasper, A. W., Bonhommeau, D. A., Valero, R., Meana-Pañeda, R., Mielke, S. L., Varga, Z. & Truhlar, D. G., ZENODO, Oct 16 2023
DOI: 10.5281/zenodo.10011563, https://zenodo.org10011563
Dataset