Asset Details
- Identifier:
- qua25516-tbl-0002
- Description:
- Calculated selectivity with the 1:1 extractant/lanthanide complex (all energies in kcal/mol)
- License:
- Rights Managed
- Rights Holder:
- John Wiley & Sons, Inc.
- License Rights Holder:
- © 2018 Wiley Periodicals, Inc.
- Asset Type:
- Image
- Asset Subtype:
- Table
- Image Orientation:
- Image Dimensions:
- x
- Image File Size:
- 249 KB
- Creator:
- Minh Nguyen Vo, Vyacheslav S. Bryantsev, J. Karl Johnson, John A. Keith
- Credit:
- Vo, M., Bryantsev, V., Johnson, J., Keith, J., Ellis, R. J., Brigham, D. M., Delmau, L., Ivanov, A. S., Williams, N. J., Vo, M. N., Reinhart, B., Moyer, B. A., Bryantsev, V. S., Shannon, R. t., Xie, F., Zhang, T. A., Dreisinger, D., Doyle, F., Wilson, A. M., Bailey, P. J., Tasker, P. A., Turkington, J. R., Grant, R. A., Love, J. B., Barysz, M., Ishikawa, Y., Regueiro‐Figueroa, M., Esteban‐Gómez, D., Blas, A., Rodríguez‐Blas, T., Platas‐Iglesias, C., Hancock, R. D., Bartolotti, L., Dam, H. H., Reinhoudt, D. N., Verboom, W., Ivanov, A. S., Bryantsev, V. S., Petoud, S., Bünzli, J.-C.-G., Renaud, F., Piguet, C., Schenk, K. J., Hopfgartner, G., Becke, A. D., Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Scalmani, G., Barone, V., Petersson, G. A., Nakatsuji, H., Li, X., Caricato, M., Marenich, A., Bloino, J., G. Janesko, B., Gomperts, R., Mennucci, B., Hratchian, H. P., Ortiz, J. V., Izmaylov, A. F., Sonnenberg, J. L., Williams‐Young, D., Ding, F., Lipparini, F., Egidi, F., Goings, J., Peng, B., Petrone, A., Henderson, T., Ranasinghe, D., Zakrzewski, V. G., Gao, J., Rega, N., Zheng, G., Liang, W., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Throssell, K., Montgomery, J. A., Peralta, J. E., Ogliaro, F., Bearpark, M., Heyd, J. J., Brothers, E., Kudin, K. N., Staroverov, V. N., Keith, T., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J. C., Iyengar, S. S., Tomasi, J., Cossi, M., Millam, J. M., Klene, M., Adamo, C., Cammi, R., Ochterski, J. W., Martin, R. L., Morokuma, K., Farkas, O., Foresman, J. B., Fox, D. J., Dolg, M., Stoll, H., Preuss, H., Tomasi, J., Mennucci, B., Cammi, R., Ribeiro, R. F., Marenich, A. V., Cramer, C. J., Truhlar, D. G., Ahlrichs, R., Neese, F., Weigend, F., Ahlrichs, R., Zheng, J., Xu, X., Truhlar, D. G., Grimme, S., Furche, F., Ahlrichs, R., Zhao, Y., Truhlar, D. G., Chai, J.-D., Head‐Gordon, M., Lenthe, E., Snijders, J., Baerends, E., Bryantsev, V. S., Diallo, M. S., Goddard, W. A., Keith, J. M., Batista, E. R., Sasaki, Y., Tsubata, Y., Kitatsuji, Y., Sugo, Y., Shirasu, N., Morita, Y., Kimura, T., Sasaki, Y., Tachimori, S., Turanov, A., Karandashev, V., Baulin, V., Turanov, A., Karandashev, V., Baulin, V., Yarkevich, A., Safronova, Z., Dau, P. V., Zhang, Z., Dau, P. D., Gibson, J. K., & Rao, L. (2018). Quantum chemistry benchmarking of binding and selectivity for lanthanide extractants. International Journal of Quantum Chemistry, 118(7), n/a-n/a. https://doi.org/10.1002/qua.25516.
- Collection:
- Keywords:
- Restrictions:
- Property Release:
- No
- Model Release:
- No
- Purchasable:
- Yes
- Sensitive Materials:
- No
- Article Authors:
- Minh Nguyen Vo, Vyacheslav S. Bryantsev, J. Karl Johnson, John A. Keith
- Article Copyright Year:
- 2018
- Publication Title:
- International Journal of Quantum Chemistry
- Publication Volume:
- 118
- Publication Issue:
- 7
- Publication Date:
- 04/05/2018
- DOI:
- https://doi.org/10.1002/qua.25516
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