المؤلفون: Zobel, J. Patrick, Gonzalez, Leticia

مصطلحات موضوعية: Physics - Chemical Physics

الوصول الحر: http://arxiv.org/abs/2106.11912Test

المؤلفون: Dudek, J., Kedziorski, A., Zobel, J. P., Krosnicki, M., Urbanczyk, T., Puczka, K., Koperski, J.

مصطلحات موضوعية: Physics - Chemical Physics

الوصول الحر: http://arxiv.org/abs/2001.09689Test

المؤلفون: Larsson, E D, Zobel, J P, Veryazov, V

المصدر: Electronic Structure eSSENCE: The e-Science Collaboration. 4(1)

مصطلحات موضوعية: basis set, electronic structure, multiconfigurational theory, Naturvetenskap, Kemi, Teoretisk kemi, Natural Sciences, Chemical Sciences, Theoretical Chemistry

الوصول الحر: https://lup.lub.lu.se/record/97a08841-0dc0-4867-8e7a-4e6264347522Test
http://dx.doi.org/10.1088/2516-1075/ac54c4Test

المؤلفون: Li Manni G., Fdez. Galvan I., Alavi A., Aleotti F., Aquilante F., Autschbach J., Avagliano D., Baiardi A., Bao J. J., Battaglia S., Birnoschi L., Blanco-Gonzalez A., Bokarev S. I., Broer R., Cacciari R., Calio P. B., Carlson R. K., Carvalho Couto R., Cerdan L., Chibotaru L. F., Chilton N. F., Church J. R., Conti I., Coriani S., Cuellar-Zuquin J., Daoud R. E., Dattani N., Decleva P., de Graaf C., Delcey M. G., De Vico L., Dobrautz W., Dong S. S., Feng R., Ferre N., Filatov M., Gagliardi L., Garavelli M., Gonzalez L., Guan Y., Guo M., Hennefarth M. R., Hermes M. R., Hoyer C. E., Huix-Rotllant M., Jaiswal V. K., Kaiser A., Kaliakin D. S., Khamesian M., King D. S., Kochetov V., Krosnicki M., Kumaar A. A., Larsson E. D., Lehtola S., Lepetit M. -B., Lischka H., Lopez Rios P., Lundberg M., Ma D., Mai S., Marquetand P., Merritt I. C. D., Montorsi F., Morchen M., Nenov A., Nguyen V. H. A., Nishimoto Y., Oakley M. S., Olivucci M., Oppel M., Padula D., Pandharkar R., Phung Q. M., Plasser F., Raggi G., Rebolini E., Reiher M., Rivalta I., Roca-Sanjuan D., Romig T., Safari A. A., Sanchez-Mansilla A., Sand A. M., Schapiro I., Scott T. R., Segarra-Marti J., Segatta F., Sergentu D. -C., Sharma P., Shepard R., Shu Y., Staab J. K., Straatsma T. P., Sorensen L. K., Tenorio B. N. C., Truhlar D. G., Ungur L., Vacher M., Veryazov V., Voss T. A., Weser O., Wu D., Yang X., Yarkony D., Zhou C., Zobel J. P., Lindh R.

المساهمون: Li Manni G., Fdez. Galvan I., Alavi A., Aleotti F., Aquilante F., Autschbach J., Avagliano D., Baiardi A., Bao J.J., Battaglia S., Birnoschi L., Blanco-Gonzalez A., Bokarev S.I., Broer R., Cacciari R., Calio P.B., Carlson R.K., Carvalho Couto R., Cerdan L., Chibotaru L.F., Chilton N.F., Church J.R., Conti I., Coriani S., Cuellar-Zuquin J., Daoud R.E., Dattani N., Decleva P., de Graaf C., Delcey M.G., De Vico L., Dobrautz W., Dong S.S., Feng R., Ferre N., Filatov M., Gagliardi L., Garavelli M., Gonzalez L., Guan Y., Guo M., Hennefarth M.R., Hermes M.R., Hoyer C.E., Huix-Rotllant M., Jaiswal V.K., Kaiser A., Kaliakin D.S., Khamesian M., King D.S., Kochetov V., Krosnicki M., Kumaar A.A., Larsson E.D., Lehtola S., Lepetit M.-B., Lischka H., Lopez Rios P., Lundberg M., Ma D., Mai S., Marquetand P., Merritt I.C.D., Montorsi F., Morchen M., Nenov A., Nguyen V.H.A., Nishimoto Y., Oakley M.S., Olivucci M., Oppel M., Padula D., Pandharkar R., Phung Q.M., Plasser F., Raggi G., Rebolini E., Reiher M., Rivalta I., Roca-Sanjuan D., Romig T., Safari A.A., Sanchez-Mansilla A., Sand A.M., Schapiro I., Scott T.R., Segarra-Marti J., Segatta F., Sergentu D.-C., Sharma P., Shepard R., Shu Y., Staab J.K., Straatsma T.P., Sorensen L.K., Tenorio B.N.C., Truhlar D.G., Ungur L., Vacher M., Veryazov V.

مصطلحات موضوعية: Quantum Chemistry, Software development, Chemical calculations

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/37216210; info:eu-repo/semantics/altIdentifier/wos/WOS:001049599400001; volume:19; issue:20; firstpage:6933; lastpage:6991; numberofpages:59; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/11585/952790Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85162813210

الإتاحة: https://doi.org/10.1021/acs.jctc.3c00182Test
https://hdl.handle.net/11585/952790Test

المؤلفون: Franz, Julia, Oelschlegel, Manuel, Zobel, J. Patrick, Hua, Shao-An, Borter, Jan-Hendrik, Schmid, Lucius, Morselli, Giacomo, Wenger, Oliver S., Schwarzer, Dirk, Meyer, Franc, González, Leticia

المصدر: Journal of the American Chemical Society; 4/24/2024, Vol. 146 Issue 16, p11272-11288, 17p

المؤلفون: Fdez. Galvan I., Vacher M., Alavi A., Angeli C., Aquilante F., Autschbach J., Bao J. J., Bokarev S. I., Bogdanov N. A., Carlson R. K., Chibotaru L. F., Creutzberg J., Dattani N., Delcey M. G., Dong S. S., Dreuw A., Freitag L., Frutos L. M., Gagliardi L., Gendron F., Giussani A., Gonzalez L., Grell G., Guo M., Hoyer C. E., Johansson M., Keller S., Knecht S., Kovacevic G., Kallman E., Li Manni G., Lundberg M., Ma Y., Mai S., Malhado J. P., Malmqvist P. A., Marquetand P., Mewes S. A., Norell J., Olivucci M., Oppel M., Phung Q. M., Pierloot K., Plasser F., Reiher M., Sand A. M., Schapiro I., Sharma P., Stein C. J., Sorensen L. K., Truhlar D. G., Ugandi M., Ungur L., Valentini A., Vancoillie S., Veryazov V., Weser O., Wesolowski T. A., Widmark P. -O., Wouters S., Zech A., Zobel J. P., Lindh R.

المساهمون: Fde, z. Galvan I., Vacher, M., Alavi, A., Angeli, C., Aquilante, F., Autschbach, J., Bao, J. J., Bokarev, S. I., Bogdanov, N. A., Carlson, R. K., Chibotaru, L. F., Creutzberg, J., Dattani, N., Delcey, M. G., Dong, S. S., Dreuw, A., Freitag, L., Frutos, L. M., Gagliardi, L., Gendron, F., Giussani, A., Gonzalez, L., Grell, G., Guo, M., Hoyer, C. E., Johansson, M., Keller, S., Knecht, S., Kovacevic, G., Kallman, E., Li Manni, G., Lundberg, M., Ma, Y., Mai, S., Malhado, J. P., Malmqvist, P. A., Marquetand, P., Mewes, S. A., Norell, J., Olivucci, M., Oppel, M., Phung, Q. M., Pierloot, K., Plasser, F., Reiher, M., Sand, A. M., Schapiro, I., Sharma, P., Stein, C. J., Sorensen, L. K., Truhlar, D. G., Ugandi, M., Ungur, L., Valentini, A., Vancoillie, S., Veryazov, V., Weser, O., Wesolowski, T. A., Widmark, P. -O., Wouters, S., Zech, A., Zobel, J. P., Lindh, R.

مصطلحات موضوعية: Wave function, Interfaces, Chemical calculations, Mathematical methods, Electron correlation

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/31509407; info:eu-repo/semantics/altIdentifier/wos/WOS:000497260300014; volume:15; issue:11; firstpage:5925; lastpage:5964; numberofpages:40; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; http://hdl.handle.net/11392/2415900Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85071085635

الإتاحة: https://doi.org/10.1021/acs.jctc.9b00532Test
http://hdl.handle.net/11392/2415900Test

المؤلفون: Singer, Nadja K., Schlögl, Katharina, Zobel, J. Patrick, Mihovilovic, Marko D., González, Leticia

المصدر: Journal of Physical Chemistry Letters; 10/12/2023, Vol. 14 Issue 40, p8956-8961, 6p

المؤلفون: Li Manni, Giovanni, Fdez. Galván, Ignacio, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie J., Battaglia, Stefano, Birnoschi, Letitia, Blanco-González, Alejandro, Bokarev, Sergey I., Broer, Ria, Cacciari, Roberto, Calio, Paul B., Carlson, Rebecca K., Carvalho Couto, Rafael, Cerdán, Luis, Chibotaru, Liviu F., Chilton, Nicholas F., Church, Jonathan Richard, Conti, Irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, Decleva, Piero, de Graaf, Coen, Delcey, Mickaël G., De Vico, Luca, Dobrautz, Werner, Dong, Sijia S., Feng, Rulin, Ferré, Nicolas, Filatov(Gulak), Michael, Gagliardi, Laura, Garavelli, Marco, González, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R., Hoyer, Chad E., Huix-Rotllant, Miquel, Jaiswal, Vishal Kumar, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, King, Daniel S., Kochetov, Vladislav, Krośnicki, Marek, Kumaar, Arpit Arun, Larsson, Ernst D., Lehtola, Susi, Lepetit, Marie-Bernadette, Lischka, Hans, López Ríos, Pablo, Lundberg, Marcus, Ma, Dongxia, Mai, Sebastian, Marquetand, Philipp, Merritt, Isabella C. D., Montorsi, Francesco, Mörchen, Maximilian, Nenov, Artur, Nguyen, Vu Ha Anh, Nishimoto, Yoshio, Oakley, Meagan S., Olivucci, Massimo, Oppel, Markus, Padula, Daniele, Pandharkar, Riddhish, Phung, Quan Manh, Plasser, Felix, Raggi, Gerardo, Rebolini, Elisa, Reiher, Markus, Rivalta, Ivan, Roca-Sanjuán, Daniel, Romig, Thies, Safari, Arta Anushirwan, Sánchez-Mansilla, Aitor, Sand, Andrew M., Schapiro, Igor, Scott, Thais R., Segarra-Martí, Javier, Segatta, Francesco, Sergentu, Dumitru-Claudiu, Sharma, Prachi, Shepard, Ron, Shu, Yinan, Staab, Jakob K., Straatsma, Tjerk P., Sørensen, Lasse Kragh, Tenorio, Bruno Nunes Cabral, Truhlar, Donald G., Ungur, Liviu, Vacher, Morgane, Veryazov, Valera, Voß, Torben Arne, Weser, Oskar, Wu, Dihua, Yang, Xuchun, Yarkony, David, Zhou, Chen, Zobel, J. Patrick, Lindh, Roland

المصدر: Journal of Chemical Theory and Computation; October 2023, Vol. 19 Issue: 20 p6933-6991, 59p

المؤلفون: Franceschini, Marco, Crosta, Martina, Ferreira, Rúben R., Poletto, Daniele, Demitri, Nicola, Zobel, J. Patrick, González, Leticia, Bonifazi, Davide

المصدر: Journal of the American Chemical Society; 11/30/2022, Vol. 144 Issue 47, p21470-21484, 15p

المؤلفون: Dudek, Joanna, Kędziorski, A., Zobel, J. P., Krośnicki, M., Urbańczyk, Tomasz, Puczka, Krystian, Koperski, Jarosław

مصطلحات موضوعية: fluorescence spectrum, emission spectrum, potential energy curve, Physics::Atomic and Molecular Clusters, ab initio potential, Physics::Atomic Physics, van der Waals molecule, diatomic molecule

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=od______3647::36ca6b922bb14dc7ca93172637e5e870Test
https://ruj.uj.edu.pl/xmlui/handle/item/243098Test