المؤلفون: Borne KD, Cooper JC, Ashfold MNR, Bachmann J, Bhattacharyya S, Boll R, Bonanomi M, Bosch M, Callegari C, Centurion M, Coreno M, Curchod BFE, Danailov MB, Demidovich A, Di Fraia M, Erk B, Faccialà D, Feifel R, Forbes RJG, Hansen CS, Holland DMP, Ingle RA, Lindh R, Ma L, McGhee HG, Muvva SB, Nunes JPF, Odate A, Pathak S, Plekan O, Prince KC, Rebernik P, Rouzée A, Rudenko A, Simoncig A, Squibb RJ, Venkatachalam AS, Vozzi C, Weber PM, Kirrander A, Rolles D

العلاقة: urn:ISSN:1755-4349; Nat Chem; http://purl.org/net/epubs/series/24057076Test; Science and Technology Facilities Council (2007- ); Accelerator Science and Technology Centre (2001- ); http://purl.org/net/epubs/work/57236590Test

الإتاحة: http://purl.org/net/epubs/work/57236590Test

المؤلفون: Cuellar-Zuquin J., Pepino A. J., Fdez. Galvan I., Rivalta I., Aquilante F., Garavelli M., Lindh R., Segarra-Marti J.

المساهمون: Cuellar-Zuquin J., Pepino A.J., Fdez. Galvan I., Rivalta I., Aquilante F., Garavelli M., Lindh R., Segarra-Marti J.

مصطلحات موضوعية: Conical Intersection, Excited state, DNA/RNA nucleobase, Multiconfigurational Wave Function Methods

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/37882796; info:eu-repo/semantics/altIdentifier/wos/WOS:001110588400001; volume:19; issue:22; firstpage:8258; lastpage:8272; numberofpages:15; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/11585/952731Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85177861208

الإتاحة: https://doi.org/10.1021/acs.jctc.3c00577Test
https://hdl.handle.net/11585/952731Test

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: Albalushi, H, Sahlin, L, Akesson, E, Kurek, M, Kjartansdottir, KR, Lindh, R, Soder, O, Rotstein, E, Hovatta, O, Stukenborg, JB

المصدر: Endocrinology. 160(1):133-142

مصطلحات موضوعية: Medicin och hälsovetenskap

الوصول الحر: http://kipublications.ki.se/Default.aspx?queryparsed=id:140381013Test

المؤلفون: Aquilante F., Autschbach J., Baiardi A., Battaglia S., Borin V. A., Chibotaru L. F., Conti I., De Vico L., Delcey M., Galvan I. F., Ferre N., Freitag L., Garavelli M., Gong X., Knecht S., Larsson E. D., Lindh R., Lundberg M., Malmqvist P. A., Nenov A., Norell J., Odelius M., Olivucci M., Pedersen T. B., Pedraza-Gonzalez L., Phung Q. M., Pierloot K., Reiher M., Schapiro I., Segarra-Marti J., Segatta F., Seijo L., Sen S., Sergentu D. -C., Stein C. J., Ungur L., Vacher M., Valentini A., Veryazov V.

المساهمون: Aquilante F., Autschbach J., Baiardi A., Battaglia S., Borin V.A., Chibotaru L.F., Conti I., De Vico L., Delcey M., Galvan I.F., Ferre N., Freitag L., Garavelli M., Gong X., Knecht S., Larsson E.D., Lindh R., Lundberg M., Malmqvist P.A., Nenov A., Norell J., Odelius M., Olivucci M., Pedersen T.B., Pedraza-Gonzalez L., Phung Q.M., Pierloot K., Reiher M., Schapiro I., Segarra-Marti J., Segatta F., Seijo L., Sen S., Sergentu D.-C., Stein C.J., Ungur L., Vacher M., Valentini A., Veryazov V.

مصطلحات موضوعية: Quantum chemistry software, computational spectroscopy, computational photochemistry

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/32505150; info:eu-repo/semantics/altIdentifier/wos/WOS:000540678200009; volume:152; firstpage:1; lastpage:25; numberofpages:25; journal:THE JOURNAL OF CHEMICAL PHYSICS; https://hdl.handle.net/11585/785774Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85086052318; https://pubs.aip.org/aip/jcp/article/152/21/214117/198678/Modern-quantum-chemistry-with-Open-MolcasTest

الإتاحة: https://doi.org/10.1063/5.0004835Test
https://hdl.handle.net/11585/785774Test
https://pubs.aip.org/aip/jcp/article/152/21/214117/198678/Modern-quantum-chemistry-with-Open-MolcasTest

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: Schalk, O., Stenrup, M., Geng, T., Lindh, R., Thomas, R. D., Feifel, Raimund, Hansson, T.

المصدر: Journal of Physical Chemistry A. 119(45):11105-11112

مصطلحات موضوعية: Physical Chemistry, Fysikalisk kemi, resolved photoelectron-spectroscopy, conical intersections, nonadiabatic, dynamics, state dynamics, ethylene, isomerization, rhodopsin, symmetry, polyenes, spectra, Chemistry, Physics

وصف الملف: electronic

الوصول الحر: https://gup.ub.gu.se/publication/226448Test

المؤلفون: Sankari, A. (Anna), Stråhlman, C. (Christian), Sankari, R. (Rami), Partanen, L. (Leena), Laksman, J. (Joakim), Kettunen, J. A. (J. Antti), Galván, I. F. (Ignacio Fdez.), Lindh, R. (Roland), Malmqvist, P.-Å. (Per-Åke), Sorensen, S. L. (Stacey L.)

وصف الملف: application/pdf

الإتاحة: http://urn.fi/urn:nbn:fi-fe2020070947188Test

المؤلفون: Slanina, T., Ayub, Rabia, Toldo, J., Sundell, J., Rabten, W., Nicaso, M., Alabugin, I., Fdez. Galván, I., Gupta, A. K., Lindh, R., Orthaber, A., Lewis, R. J., Grönberg, G., Bergman, J., Ottosson, H.

المصدر: Journal of the American Chemical Society. 142(25):10942-10954

مصطلحات موضوعية: Addition reactions, Benzene, Ground state, Isomers, Photoreactivity, Protonation, Quantum chemistry, Scaffolds, Electronic ground state, Molecular scaffolds, Nucleophilic additions, Photorearrangement, Quantum chemical calculations, Stereogenic centers, Substituted benzenes, Synthetic utility, Excited states, bicyclo[3.1.0]hexene derivative, cyclohexene derivative, heterocyclic compound, molecular scaffold, pyridinium derivative, silabenzene, solvent, unclassified drug, Article, chemical phenomena, controlled study, electron, excited state antiaromaticity, isomer, nucleophilicity, photochemistry, synthesis

وصف الملف: print

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:ri:diva-57302Test

المؤلفون: Papadakis, R., Li, H., Bergman, J., Lundstedt, A., Jorner, K., Ayub, Rabia, Haldar, S., Jahn, B. O., Denisova, A., Zietz, B., Lindh, R., Sanyal, B., Grennberg, H., Leifer, K., Ottosson, H.

المصدر: Nature Communications. 7

مصطلحات موضوعية: aromatic compound, benzene, formic acid, graphene, hydrogen, naphthalene, polycyclic aromatic hydrocarbon, carbon, hydrocarbon, irradiation, PAH, photochemistry, solar radiation, Article, geometry, hydrogenation, mathematical analysis, mathematical computing, photoreactivity, quantum chemistry, silylation, white light

وصف الملف: print

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:ri:diva-57309Test
https://doi.org/10.1038/ncomms12962Test