المؤلفون: Reilly, A., Cooper, R., Adjiman, C., Bhattacharya, S., Boese, A., Brandenburg, J., Bygrave, P., Bylsma, R., Campbell, J., Car, R., Case, D., Chadha, R., Cole, J., Cosburn, K., Cuppen, H., Curtis, F., Day, G., DiStasio Jr, R., Dzyabchenko, A., van Eijck, B., Elking, D., van den Ende, J., Facelli, J., Ferraro, M., Fusti-Molnar, L., Gatsiou, C., Gee, T., de Gelder, R., Ghiringhelli, L., Goto, H., Grimme, S., Guo, R., Hofmann, D., Hoja, J., Hylton, R., Iuzzolino, L., Jankiewicz, W., de Jong, D., Kendrick, J., de Klerk, N., Ko, H., Kuleshova, L., Li, X., Lohani, S., Leusen, F., Lund, A., Lv, J., Ma, Y., Marom, N., Masunov, A., McCabe, P., McMahon, D., Meekes, H., Metz, M., Misquitta, A., Mohamed, S., Monserrat, B., Needs, R., Neumann, M., Nyman, J., Obata, S., Oberhofer, H., Oganov, A., Orendt, A., Pagola, G., Pantelides, C., Pickard, C., Podeszwa, R., Price, L., Price, S., Pulido, A., Read, M., Reuter, K., Schneider, E., Schober, C., Shields, G., Singh, P., Sugden, I., Szalewicz, K., Taylor, C., Tkatchenko, A., Tuckerman, M., Vacarro, F., Vasileiadis, M., Vazquez-Mayagoitia, A., Vogt, L., Wang, Y., Watson, R., de Wijs, G., Yang, J., Zhu, Q., Groom, C.

المصدر: Acta Crystallographica Section B

وصف الملف: application/pdf

Relation: http://hdl.handle.net/11858/00-001M-0000-002B-462F-0; http://hdl.handle.net/11858/00-001M-0000-002C-59F9-B; http://hdl.handle.net/11858/00-001M-0000-002C-59FA-9

الاتاحة: http://hdl.handle.net/11858/00-001M-0000-002B-462F-0
http://hdl.handle.net/11858/00-001M-0000-002C-59F9-B
http://hdl.handle.net/11858/00-001M-0000-002C-59FA-9

المؤلفون: Elking, D, Woods, R, Darden, T

المصدر: Recent Progress in Computational Sciences and Engineering (2 vols) ; page 1026-1030 ; ISBN 9789004155428 9781466564510

الاتاحة: http://dx.doi.org/10.1201/b12066-62
http://www.crcnetbase.com/doi/pdf/10.1201/b12066-62

المؤلفون: Carlsson, A.E., Shah, A.D., Elking, D., Karpova, T.S., Cooper, J.A.

المصدر: Biophysical Journal ; volume 82, issue 5, page 2333-2343 ; ISSN 0006-3495

الاتاحة: http://dx.doi.org/10.1016/s0006-3495(02)75579-3
https://api.elsevier.com/content/article/PII:S0006349502755793?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0006349502755793?httpAccept=text/plain

المؤلفون: Reilly, Anthony M., Cooper, Richard I., Adjiman, Claire S., Bhattacharya, Saswata, Boese, A. Daniel, Brandenburg, Jan Gerit, Bygrave, Peter J., Bylsma, Rita, Campbell, Josh E., Car, Roberto, Case, D. H., Chadha, R., Cole, J. C., Cosburn, K., Cuppen, H. M., Curtis, Farren S., Day, G. M., DiStasio Jr., R. A., Dzyabchenko, A., van Eijck, B. P., Elking, D. M., van den Ende, J. A., Facelli, J. C., Ferraro, M. B., Fusti-Molnar, L., Gatsiou, C.-A., Gee, T. S., de Gelder, R., Ghiringhelli, L. M., Goto, H., Grimme, S., Guo, R., Hofmann, D. W. M., Hoja, J., Hylton, R. K., Iuzzolino, L., Jankiewicz, W., de Jong, D. T., Kendrick, J., de Klerk, N. J. J., Ko, H.-Y., Kuleshova, L. N., Li, X., Lohani, S., Leusen, F. J. J., Lund, A. M., Lv, J., Ma, Y., Marom, Noa, Masunov, A. E.

مصطلحات موضوعية: 530 Physik, 540 Chemie

Relation: Reilly, Anthony M.; Cooper, Richard I.; Adjiman, Claire S.; Bhattacharya, Saswata; Boese, A. Daniel; Brandenburg, Jan Gerit; Bygrave, Peter J.; Bylsma, Rita; Campbell, Josh E.; Car, Roberto; Case, D. H.; Chadha, R.; Cole, J. C.; Cosburn, K.; Cuppen, H. M.; Curtis, Farren S.; Day, G. M.; DiStasio Jr., R. A.; Dzyabchenko, A.; van Eijck, B. P.; Elking, D. M.; van den Ende, J. A.; Facelli, J. C.; Ferraro, M. B.; Fusti-Molnar, L.; Gatsiou, C.-A.; Gee, T. S.; de Gelder, R.; Ghiringhelli, L. M.; Goto, H.; Grimme, S.; Guo, R.; Hofmann, D. W. M.; Hoja, J.; Hylton, R. K.; Iuzzolino, L.; Jankiewicz, W.; de Jong, D. T.; Kendrick, J.; de Klerk, N. J. J.; Ko, H.-Y.; Kuleshova, L. N.; Li, X.; Lohani, S.; Leusen, F. J. J.; Lund, A. M.; Lv, J.; Ma, Y.; Marom, Noa; Masunov, A. E.; McCabe, P.; McMahon, D. P.; Meekes, H.; Metz, M. P.; Misquitta, A. J.; Mohamed, S.; Monserrat, B.; Needs, R. J.; Neumann, M. A.; Nyman, J.; Obata, S.; Oberhofer, Harald; Oganov, A. R.; Orendt, A. M.; Pagola, G. I.; Pantelides, C. C.; Pickard, C. J.; Podeszwa, R.; Price, L. S.; Price, S. L.; Pulido, A.; Read, M. G.; Reuter, K.; Schneider, Elia; Schober, C.; Shields, G. P.; Singh, P.; Sugden, I. J.; Szalewicz, K.; Taylor, C. R.; Tkatchenko, Alexandre; Tuckerman, M. E.; Vacarro, F.; Vasileiadis, M.; Vazquez-Mayagoitia, A.; Vogt, L.; Wang, Y.; Watson, R. E.; de Wijs, G. A.; Yang, J.; Zhu, Q.; Groom, C. R.: Report on the sixth blind test of organic crystal structure prediction methods. In: Acta Crystallographica Section B. Bd. 72 (2016) Heft 4 . - S. 439-459. ISSN 2052-5206 DOI: https://doi.org/10.1107/S2052520616007447

الاتاحة: https://eref.uni-bayreuth.de/68474/

المؤلفون: Cisneros, G., Tholander, S. Na-Im, Parisel, O., Darden, T., Elking, D., Perera, L., Piquemal, J.-P.

المساهمون: Wayne State University Detroit, Laboratoire de chimie théorique (LCT), Institut de Chimie - CNRS Chimie (INC-CNRS)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), National Institute of Environmental Health Sciences Durham, NC, USA (NIEHS-NIH), National Institutes of Health Bethesda, MD, USA (NIH)

المصدر: ISSN: 0020-7608.

مصطلحات موضوعية: [CHIM]Chemical Sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

Relation: hal-02126814; https://hal.science/hal-02126814; PUBMEDCENTRAL: PMC2709874

الاتاحة: https://hal.science/hal-02126814
https://doi.org/10.1002/qua.21675

المؤلفون: Carlsson, A E, Shah, A D, Elking, D, Karpova, T S, Cooper, J A

مصطلحات موضوعية: Research Article, info, envir

Relation: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1302026

الاتاحة: http://www.ncbi.nlm.nih.gov/pmc/articles/PMC1302026

المؤلفون: Elking, D (via Mendeley Data)

مصطلحات موضوعية: Interdisciplinary sciences

Relation: 5m3494zzw2; http://nbn-resolving.org/urn:nbn:nl:ui:13-jo-mxpw; https://easy.dans.knaw.nl/ui/datasets/id/easy-dataset:121088

الاتاحة: http://nbn-resolving.org/urn:nbn:nl:ui:13-jo-mxpw
https://easy.dans.knaw.nl/ui/datasets/id/easy-dataset:121088

المؤلفون: Cisneros, G. A., Tholander, S. Na‐Im, Parisel, O., Darden, T. A., Elking, D., Perera, L., Piquemal, J.‐P.

المصدر: International Journal of Quantum Chemistry; 2008, Vol. 108 Issue 11, p1905-1912, 8p, 2 Diagrams, 1 Chart, 3 Graphs

مصطلحات موضوعية: ELECTROSTATICS, COULOMB functions, INTERMOLECULAR forces, PROTON transfer reactions, ASPARTIC acid

المؤلفون: Reilly, A.M., Cooper, R.I., Adjiman, C.S., Bhattacharya, S., Boese, D.A., Brandenburg, J.G., Bygrave, P.J., Bylsma, R., Campbell, J.E., Car, R., Case, D.H., Chadha, R., Cole, J.C., Cosburn, K., Cuppen, H.M., Curtis, F., Day, G.M., DiStasio, R.A. Jr, Dzyabchenko, A., van Eijck, B.P., Elking, D.M., van den Ende, J.A., Facelli, J.C., Ferraro, M.B., Fusti-Molnar, L., Gatsiou, C-A., Gee, T.S., de Gelder, R., Ghiringhelli, L.M., Goto, H., Grimme, S., Guo, R., Hofmann, D.W.M., Hoja, J., Hylton, R.K., Iuzzolino, L., Jankiewicz, W., de Jong, D.T., Kendrick, John, de Klerk, N.J.J., Ko, H-Y., Kuleshova, L.N., Li, X., Lohani, S., Leusen, Frank J.J., Lund, A.M., Lv, J., Ma, Y., Marom, N., Masunov, A.E., McCabe, P., McMahon, D.P., Meekes, H., Metz, M.P., Misquitta, A.J., Mohamed, S., Monserrat, B., Needs, R.J., Neumann, M.A., Nyman, J., Obata, S., Oberhofer, H., Oganov, A.R., Orendt, A.M., Pagola, G.I., Pantelides, C.C., Pickard, C.J., Podeszwa, R., Price, L.S., Price, S.L., Pulido, A., Read, M.G., Reuter, K., Schneider, E., Schober, C., Shields, G.P., Singh, P., Sugden, I.J., Szalewicz, K., Taylor, C.R., Tkatchenko, A., Tuckerman, M.E., Vacarro, F., Vasileiadis, M., Vazquez-Mayagoitia, A., Vogt, L., Wang, Y., Watson, R.E., de Wijs, G.A., Yang, J., Zhu, Q., Groom, C.R.

مصطلحات موضوعية: Organic crystal-structure prediction (CSP) methods, Blind test

الاتاحة: http://hdl.handle.net/10454/8580