المؤلفون: Hammes-Schiffer, S., Makri, N., Rossi, M.

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/arxiv/2302.01408; http://hdl.handle.net/21.11116/0000-000C-8ADF-E; http://hdl.handle.net/21.11116/0000-000C-8AE1-A

الاتاحة: http://hdl.handle.net/21.11116/0000-000C-8ADF-E
http://hdl.handle.net/21.11116/0000-000C-8AE1-A

المؤلفون: Pavošević, F., Hammes-Schiffer, S., Rubio, A., Flick, J.

المصدر: Journal of the American Chemical Society

وصف الملف: application/pdf; application/zip

Relation: info:eu-repo/semantics/altIdentifier/arxiv/2112.02138; http://hdl.handle.net/21.11116/0000-0009-9651-2; http://hdl.handle.net/21.11116/0000-0009-9653-0; http://hdl.handle.net/21.11116/0000-000A-2058-F; http://hdl.handle.net/21.11116/0000-000A-2291-B

الاتاحة: http://hdl.handle.net/21.11116/0000-0009-9651-2
http://hdl.handle.net/21.11116/0000-0009-9653-0
http://hdl.handle.net/21.11116/0000-000A-2058-F
http://hdl.handle.net/21.11116/0000-000A-2291-B

المؤلفون: Blum, V, Asahi, R, Autschbach, J, Bannwarth, C, Bihlmayer, G, Blügel, S, Burns, LA, Crawford, TD, Dawson, W, de Jong, WA, Draxl, C, Filippi, C, Genovese, L, Giannozzi, P, Govind, N, Hammes-Schiffer, S, Hammond, JR, Hourahine, B, Jain, A, Kanai, Y, Kent, PRC, Larsen, AH, Lehtola, S, Li, X, Lindh, R, Maeda, S, Makri, N, Moussa, J, Nakajima, T, Nash, JA, Oliveira, MJT, Patel, PD, Pizzi, G, Pourtois, G, Pritchard, BP, Rabani, E, Reiher, M, Reining, L, Ren, X, Rossi, M, Schlegel, HB, Seriani, N, Slipchenko, LV, Thom, A, Valeev, EF, Van Troeye, B, Visscher, L, Vlček, V, Werner, HJ, Williams-Young, DB, Windus, T

مصطلحات موضوعية: 46 Information and Computing Sciences, 4612 Software Engineering

وصف الملف: text/xml; application/pdf

Relation: https://www.repository.cam.ac.uk/handle/1810/376581

الاتاحة: https://www.repository.cam.ac.uk/handle/1810/376581

المؤلفون: Lambros E., Link B., Chow M., Lipparini F., Hammes-Schiffer S., Li X.

المساهمون: Lambros, E., Link, B., Chow, M., Lipparini, F., Hammes-Schiffer, S., Li, X.

Relation: info:eu-repo/semantics/altIdentifier/pmid/37889479; info:eu-repo/semantics/altIdentifier/wos/WOS:001096778200001; volume:127; issue:44; firstpage:9322; lastpage:9333; numberofpages:12; journal:JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY; https://hdl.handle.net/11568/1215171; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85177844517

الاتاحة: https://hdl.handle.net/11568/1215171
https://doi.org/10.1021/acs.jpca.3c03153

المؤلفون: van Hest, J.C.M., Sumerlin, B., Anseth, K.S., Shoichet, M., Hammes-Schiffer, S.

المصدر: van Hest , J C M , Sumerlin , B , Anseth , K S , Shoichet , M & Hammes-Schiffer , S 2017 , ' Editorial for virtual issue on polymer bioconjugates in biology and medicine ' , Biomacromolecules , vol. 18 , no. 2 , pp. 315 . https://doi.org/10.1021/acs.biomac.7b00083

مصطلحات موضوعية: Biomedical Research/trends, Biopolymers/chemistry, Humans, Macromolecular Substances/chemistry, Periodicals as Topic

Relation: https://research.tue.nl/en/publications/7d28e307-cf37-4c33-bf76-70917f2d3d9e

الاتاحة: https://research.tue.nl/en/publications/7d28e307-cf37-4c33-bf76-70917f2d3d9e
https://doi.org/10.1021/acs.biomac.7b00083
http://www.scopus.com/inward/record.url?scp=85012253437&partnerID=8YFLogxK

المؤلفون: Hest, JCM Jan van, Sumerlin, Brent, Anseth, Kristi S, Shoichet, M, Hammes-Schiffer, S

المصدر: ISSN:2161-1653.

وصف الملف: application/pdf

Relation: http://repository.tue.nl/905138

الاتاحة: http://repository.tue.nl/905138

المؤلفون: Ghosh, S, Soudackov, AV, Hammes-Schiffer, S

المصدر: ACS Nano , 11 (10) pp. 10295-10302. (2017)

مصطلحات موضوعية: density functional theory, kinetic Monte Carlo, nanocrystal, nanoparticle, proton conductivity, proton diffusion, proton-coupled electron transfer

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10058113/1/acsnano.7b05009.pdf; https://discovery.ucl.ac.uk/id/eprint/10058113/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10058113/1/acsnano.7b05009.pdf
https://discovery.ucl.ac.uk/id/eprint/10058113/

المؤلفون: Ghosh, S, Castillo-Lora, J, Soudackov, AV, Mayer, JM, Hammes-Schiffer, S

المصدر: Nano Letters , 17 (9) pp. 5762-5767. (2017)

مصطلحات موضوعية: Proton-coupled electron transfer, nanocrystal, nanoparticle, proton tunneling, density functional theory, zinc oxide

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10058115/1/acs.nanolett.7b02642.pdf; https://discovery.ucl.ac.uk/id/eprint/10058115/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10058115/1/acs.nanolett.7b02642.pdf
https://discovery.ucl.ac.uk/id/eprint/10058115/

المؤلفون: Alvertis A. M., Barford W., Worster S. B., Burghardt I., Chin A., Datta A., Dijkstra A., Fay T., Fielding H., Grunbaum T., Habershon S., Hammes-Schiffer S., Iyengar S., Jones A. R., Komarova K., Leonard J., Litman Y., Picconi D., Plant D., Schile A., Scholes G. D., Segarra-Marti J., Segatta F., Troisi A., Worth G.

المساهمون: Alvertis A.M., Barford W., Worster S.B., Burghardt I., Chin A., Datta A., Dijkstra A., Fay T., Fielding H., Grunbaum T., Habershon S., Hammes-Schiffer S., Iyengar S., Jones A.R., Komarova K., Leonard J., Litman Y., Picconi D., Plant D., Schile A., Scholes G.D., Segarra-Marti J., Segatta F., Troisi A., Worth G.

مصطلحات موضوعية: Spectroscopic signatures of quantum effects

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/31778136; info:eu-repo/semantics/altIdentifier/wos/WOS:000505590900016; volume:221; issue:0; firstpage:322; lastpage:349; numberofpages:28; journal:FARADAY DISCUSSIONS; https://hdl.handle.net/11585/911986; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85076448475

الاتاحة: https://hdl.handle.net/11585/911986
https://doi.org/10.1039/C9FD90074H

المؤلفون: Boatz, J., Gordon, M., Voth, G., Hammes-Schiffer, S.

المصدر: 2007 DoD High Performance Computing Modernization Program Users Group Conference ; page 171-176

الاتاحة: http://dx.doi.org/10.1109/hpcmp-ugc.2007.25
http://xplorestaging.ieee.org/ielx5/4437948/4437949/04437981.pdf?arnumber=4437981

المؤلفون: Boatz, J.A., Gordon, M.S., Hammes-Schiffer, S., Pachter, R.

المصدر: 2003 User Group Conference. Proceedings ; page 11-15

الاتاحة: http://dx.doi.org/10.1109/dodugc.2003.1253365
http://xplorestaging.ieee.org/ielx5/8745/28042/01253365.pdf?arnumber=1253365

المؤلفون: Vendrell, O, Moreno, M, Lluch, JM, Hammes-Schiffer, S

المصدر: Vendrell , O , Moreno , M , Lluch , JM & Hammes-Schiffer , S 2004 , ' Molecular dynamics of excited state intramolecular proton transfer : 2-(2 '-hydroxyphenyl)-4-methyloxazole in gas phase, solution, and protein environments ' , Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical , vol. 108 , no. 21 , pp. 6616-6623 . https://doi.org/10.1021/jp037671e

مصطلحات موضوعية: HUMAN SERUM-ALBUMIN, VALENCE-BOND MODEL, ANTITUMOR PHOTOSENSITIZER, HYDROGEN-TRANSFER, ATOM TRANSFER, SIMULATION, WATER, FEMTOSECOND, DERIVATIVES, SYSTEMS

Relation: https://pure.au.dk/portal/da/publications/molecular-dynamics-of-excited-state-intramolecular-proton-transfer(72e6fd9e-c0a1-4653-a049-b65e93d52a5f).html

الاتاحة: https://pure.au.dk/portal/da/publications/molecular-dynamics-of-excited-state-intramolecular-proton-transfer(72e6fd9e-c0a1-4653-a049-b65e93d52a5f).html
https://doi.org/10.1021/jp037671e

المؤلفون: Boatz, J.A., Voth, G.A., Gordon, M.S., Hammes-Schiffer, S.

المصدر: High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC), 2010 DoD; 2010, p201-207, 7p

المؤلفون: Boatz, J.A., Voth, G.A., Gordon, M.S., Hammes-Schiffer, S.

المصدر: 2009 DoD High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC); 2009, p175-181, 7p

المؤلفون: Boatz, J.A., Gordon, M.S., Voth, G.A., Hammes-Schiffer, S.

المصدر: 2008 DoD HPCMP Users Group Conference; 2008, p196-200, 5p

المؤلفون: Boatz, J.A., Gordon, M.S., Hammes-Schiffer, S., Pachter, R.

المصدر: Proceedings of the 2003 User Group Conference; 2003, p11-15, 5p

المؤلفون: Carra, C., Iordanova, N., Hammes-Schiffer, S.

المصدر: The Journal of Physical Chemistry - Part B; August 2002, Vol. 106 Issue: 33 p8415-8421, 7p

المؤلفون: Agarwal, P. K., Billeter, S. R., Hammes-Schiffer, S.

المصدر: The Journal of Physical Chemistry - Part B; March 2002, Vol. 106 Issue: 12 p3283-3293, 11p

المؤلفون: Kobrak, M. N., Hammes-Schiffer, S.

المصدر: The Journal of Physical Chemistry - Part B; October 2001, Vol. 105 Issue: 42 p10435-10445, 11p

المؤلفون: Hammes-Schiffer, S.

المصدر: Accounts of Chemical Research; April 2001, Vol. 34 Issue: 4 p273-281, 9p