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1دورية أكاديمية
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
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2دورية أكاديمية
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 -
3دورية أكاديمية
المؤلفون: Pedraza-Gonzalez L., De Vico L., Marln M. D. C., Fanelli F., Olivucci M.
المساهمون: Pedraza-Gonzalez, L., De Vico, L., Marln, M. D. C., Fanelli, F., Olivucci, M.
العلاقة: info:eu-repo/semantics/altIdentifier/pmid/30916955; info:eu-repo/semantics/altIdentifier/wos/WOS:000468242900032; volume:15; issue:5; firstpage:3134; lastpage:3152; numberofpages:19; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; http://hdl.handle.net/11380/1190446Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85064803650; http://pubs.acs.org/journal/jctcceTest
الإتاحة: https://doi.org/10.1021/acs.jctc.9b00061Test
http://hdl.handle.net/11380/1190446Test
http://pubs.acs.org/journal/jctcceTest -
4دورية أكاديمية
المؤلفون: Fusi, S., Frosini, M., Biagi, M., Zor, K., Rindzevicius, T., Baratto, M. C., De Vico, L., Corsini, M.
المصدر: Fusi , S , Frosini , M , Biagi , M , Zor , K , Rindzevicius , T , Baratto , M C , De Vico , L & Corsini , M 2020 , ' Iron(III) complexing ability of new ligands based on natural γ-pyrone maltol ' , Polyhedron , vol. 187 , 114650 . https://doi.org/10.1016/j.poly.2020.114650Test
مصطلحات موضوعية: Hydroxypyrones, Iron, Redox chemistry, Maltol derivatives, Antioxidant, Antiradicalic
وصف الملف: application/pdf
الإتاحة: https://doi.org/10.1016/j.poly.2020.114650Test
https://orbit.dtu.dk/en/publications/92eb5e9a-a2d7-42a8-aab9-bf9d477fc9b7Test
https://backend.orbit.dtu.dk/ws/files/277585870/F_Fusi_IronIII_complexing_ability_of_new_ligands_based_on_natural_y_pyrone_maltol_Polyhedron_2020.pdfTest -
5دورية أكاديمية
المؤلفون: Mroginski M. -A., Adam S., Amoyal G. S., Barnoy A., Bondar A. -N., Borin V. A., Church J. R., Domratcheva T., Ensing B., Fanelli F., Ferre N., Filiba O., Pedraza Gonzalez Laura Milena, Gonzalez R., Gonzalez-Espinoza C. E., Kar R. K., Kemmler L., Kim S. S., Kongsted J., Krylov A. I., Lahav Y., Lazaratos M., NasserEddin Q., Navizet I., Nemukhin A., Olivucci M., Olsen J. M. H., Perez de Alba Ortiz A., Pieri E., Rao A. G., Rhee Y. M., Ricardi N., Sen S., Solov'yov I. A., De Vico L., Wesolowski T. A., Wiebeler C., Yang X., Schapiro I.
المساهمون: Mroginski, M. -A., Adam, S., Amoyal, G. S., Barnoy, A., Bondar, A. -N., Borin, V. A., Church, J. R., Domratcheva, T., Ensing, B., Fanelli, F., Ferre, N., Filiba, O., PEDRAZA GONZÁLEZ, LAURA MILENA, Gonzalez, R., Gonzalez-Espinoza, C. E., Kar, R. K., Kemmler, L., Kim, S. S., Kongsted, J., Krylov, A. I., Lahav, Y., Lazaratos, M., Nassereddin, Q., Navizet, I., Nemukhin, A., Olivucci, M., Olsen, J. M. H., Perez de Alba Ortiz, A., Pieri, E., Rao, A. G., Rhee, Y. M., Ricardi, N., Sen, S., Solov'Yov, I. A., De Vico, L., Wesolowski, T. A., Wiebeler, C., Yang, X., Schapiro, I.
وصف الملف: ELETTRONICO
العلاقة: info:eu-repo/semantics/altIdentifier/pmid/33369749; info:eu-repo/semantics/altIdentifier/wos/WOS:000617487700001; volume:97; issue:2; firstpage:243; lastpage:269; numberofpages:27; journal:PHOTOCHEMISTRY AND PHOTOBIOLOGY; http://hdl.handle.net/11365/1133509Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85100850859
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6دورية أكاديمية
المؤلفون: Aquilante, F, Autschbach, J, Baiardi, A, Battaglia, S, Borin, VA, Chibotaru, LF, Conti, I, De Vico, L, Delcey, M, Galván, IF, Ferré, N, Freitag, L, Garavelli, M, Gong, X, Knecht, S, Larsson, ED, Lindh, R, Lundberg, M, Malmqvist, PÅ, Nenov, A, Norell, J, Odelius, M, Olivucci, M, Pedersen, TB, Pedraza-González, L, Phung, QM, Pierloot, K, Reiher, M, Schapiro, I, Segarra-Martí, J, Segatta, F, Seijo, L, Sen, S, Sergentu, DC, Stein, CJ, Ungur, L, Vacher, M, Valentini, A, Veryazov, V
المساهمون: DEPT OF CHEMISTRY
المصدر: Elements
العلاقة: Aquilante, F, Autschbach, J, Baiardi, A, Battaglia, S, Borin, VA, Chibotaru, LF, Conti, I, De Vico, L, Delcey, M, Galván, IF, Ferré, N, Freitag, L, Garavelli, M, Gong, X, Knecht, S, Larsson, ED, Lindh, R, Lundberg, M, Malmqvist, PÅ, Nenov, A, Norell, J, Odelius, M, Olivucci, M, Pedersen, TB, Pedraza-González, L, Phung, QM, Pierloot, K, Reiher, M, Schapiro, I, Segarra-Martí, J, Segatta, F, Seijo, L, Sen, S, Sergentu, DC, Stein, CJ, Ungur, L, Vacher, M, Valentini, A, Veryazov, V (2020-06-07). Modern quantum chemistry with [open]molcas. Journal of Chemical Physics 152 (21) : 214117-. ScholarBank@NUS Repository. https://doi.org/10.1063/5.0004835Test; 0021-9606,1089-7690; https://scholarbank.nus.edu.sg/handle/10635/228894Test
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7دورية أكاديمية
المؤلفون: Bogh, S. A., Simmermacher, M., Westberg, Michael, Bregnhøj, Mikkel, Rosenberg, M., De Vico, L., Veiga, M., Laursen, B. W., Ogilby, Peter Remsen, Sauer, S. P. A., Sørensen, T. J.
المصدر: Bogh , S A , Simmermacher , M , Westberg , M , Bregnhøj , M , Rosenberg , M , De Vico , L , Veiga , M , Laursen , B W , Ogilby , P R , Sauer , S P A & Sørensen , T J 2017 , ' Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties. ' , ACS Omega , vol. 2 , no. 1 , pp. 193-203 . https://doi.org/10.1021/acsomega.6b00211Test
الإتاحة: https://doi.org/10.1021/acsomega.6b00211Test
https://pure.au.dk/portal/da/publications/azadioxatriangulenium-and-diazaoxatriangulenium-quantum-yields-and-fundamental-photophysical-propertiesTest(f3d09454-c64b-4069-956c-154b053741bc).html -
8دورية أكاديمية
المؤلفون: Aquilante, F., Autschbach, J., Carlson, R., Chibotaru, L., Delcey, M., De Vico, L., Galvan, I., Ferre, N., Frutos, L., Gagliardi, L., Garavelli, M., Giussani, A., Hoyer, C., Li Manni, G., Lischka, H., Ma, D., Malmqvist, P., Muller, T., Nenov, A., Olivucci, M., Pedersen, T., Peng, D., Plasser, F., Pritchard, B., Reiher, M., Rivalta, I., Schapiro, I., Segarra-Marti, J., Stenrup, M., Truhlar, D., Ungur, L., Valentini, A., Vancoillie, S., Veryazov, V., Vysotskiy, V., Weingart, O., Zapata, F., Lindh, R.
المصدر: Journal of Computational Chemistry
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9كتاب
المؤلفون: Hediger, M. R., Martinez, K. L., Nygård, J., Brandbyge, Mads, Jensen, J. H., De Vico, L.
المصدر: Hediger , M R , Martinez , K L , Nygård , J , Brandbyge , M , Jensen , J H & De Vico , L 2013 , BioFET-SIM : A Tool for the Analysis and Prediction of Signal Changes in Nanowire-Based Field Effect Transistor Biosensors . in Nanoscale sensors . Springer , Lecture Notes in Nanoscale Science and Technology , vol. 15 , pp. 55-86 .
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10دورية أكاديمية
المؤلفون: Aquilante F., De Vico L., Ferré N., Malmqvist P. Å., Neogrády P., Pedersen T. B., Pitoňák M., Reiher M., Roos B. O., Serrano Andrés L., Urban M., Veryazov V., Lindh R., GHIGO, Giovanni
المساهمون: Aquilante F., De Vico L., Ferré N., Ghigo G., Malmqvist P.-Å., Neogrády P., Pedersen T. B., Pitoňák M., Reiher M., Roos B. O., Serrano-Andrés L., Urban M., Veryazov V., Lindh R.
العلاقة: info:eu-repo/semantics/altIdentifier/wos/WOS:000273186800021; volume:31; firstpage:224; lastpage:247; numberofpages:24; journal:JOURNAL OF COMPUTATIONAL CHEMISTRY; http://hdl.handle.net/2318/59647Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-72449122456; http://www3.interscience.wiley.com/journal/122439531/abstractTest
الإتاحة: https://doi.org/10.1002/jcc.21318Test
http://hdl.handle.net/2318/59647Test
http://www3.interscience.wiley.com/journal/122439531/abstractTest
