المؤلفون: Jaiswal, V. K., Montorsi, F., Aleotti, F., Segatta, F., Keefer, D., Mukamel, S., Nenov, A., Conti, I., Garavelli, M.

مصطلحات موضوعية: Physics - Chemical Physics

الوصول الحر: http://arxiv.org/abs/2402.09873Test

المؤلفون: Jaiswal, V. K., Montorsi, F., Aleotti, F., Segatta, F., Keefer, Daniel, Mukamel, Shaul, Nenov, A., Conti, I., Garavelli, M.

المصدر: Journal of Chemical Physics; 4/28/2024, Vol. 160 Issue 16, p1-9, 9p

مصطلحات موضوعية: RYDBERG states, EXCITED states, PHOTOCHEMISTRY, STATE formation, ELECTRON diffraction

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: Aarabi M., Aranda D., Gholami S., Meena S. K., Lerouge F., Bretonniere Y., Gurol I., Baldeck P., Parola S., Dumoulin F., Cerezo J., Garavelli M., Santoro F., Rivalta I.

المساهمون: Aarabi M., Aranda D., Gholami S., Meena S.K., Lerouge F., Bretonniere Y., Gurol I., Baldeck P., Parola S., Dumoulin F., Cerezo J., Garavelli M., Santoro F., Rivalta I.

مصطلحات موضوعية: Quantum Dynamics, Absorption Lineshape, Aggregation-induced Fluorescence Quenching, Zinc Phthalocyanine

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/37641958; info:eu-repo/semantics/altIdentifier/wos/WOS:001064627800001; volume:19; issue:17; firstpage:5938; lastpage:5957; numberofpages:20; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/11585/952791Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85170717229

الإتاحة: https://doi.org/10.1021/acs.jctc.3c00446Test
https://hdl.handle.net/11585/952791Test

المؤلفون: Aleotti F., Petropoulos V., Van Overeem H., Pettini M., Mancinelli M., Pecorari D., Maiuri M., Medri R., Mazzanti A., Preda F., Perri A., Polli D., Conti I., Cerullo G., Garavelli M.

المساهمون: Aleotti F., Petropoulos V., Van Overeem H., Pettini M., Mancinelli M., Pecorari D., Maiuri M., Medri R., Mazzanti A., Preda F., Perri A., Polli D., Conti I., Cerullo G., Garavelli M.

مصطلحات موضوعية: Azobenzene, Photoisomerization, CASPT2, TDDFT

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/38051114; info:eu-repo/semantics/altIdentifier/wos/WOS:001125233000001; volume:127; firstpage:10435; lastpage:10449; numberofpages:15; journal:JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY; https://hdl.handle.net/11585/953436Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85180008601

الإتاحة: https://doi.org/10.1021/acs.jpca.3c06108Test
https://hdl.handle.net/11585/953436Test

المؤلفون: Segatta F., Aranda D., Aleotti F., Montorsi F., Mukamel S., Garavelli M., Santoro F., Nenov A.

المساهمون: Segatta F., Aranda D., Aleotti F., Montorsi F., Mukamel S., Garavelli M., Santoro F., Nenov A.

مصطلحات موضوعية: Time-Resolved, X‐ray Absorption, Spectroscopy, MCTDH, Quantum Dynamics

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/38101807; info:eu-repo/semantics/altIdentifier/wos/WOS:001139534200001; volume:20; issue:1; firstpage:307; lastpage:322; numberofpages:16; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/11585/953432Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85180933706

الإتاحة: https://doi.org/10.1021/acs.jctc.3c00953Test
https://hdl.handle.net/11585/953432Test

المؤلفون: Montorsi F., Aranda D., Garavelli M., Santoro F., Segatta F.

المساهمون: Montorsi F., Aranda D., Garavelli M., Santoro F., Segatta F.

مصطلحات موضوعية: MCTDH, Nonlinear spectroscopy simulation, Quantum dynamics

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/wos/WOS:001079514000001; volume:142; firstpage:1; lastpage:17; numberofpages:17; journal:THEORETICAL CHEMISTRY ACCOUNTS; https://hdl.handle.net/11585/953423Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85173783887; https://link.springer.com/article/10.1007/s00214-023-03035-3#Abs1Test

الإتاحة: https://doi.org/10.1007/s00214-023-03035-3Test
https://hdl.handle.net/11585/953423Test

المؤلفون: Mateo-DelaFuente H., Avagliano D., Garavelli M., Nogueira J. J.

المساهمون: Mateo-DelaFuente H., Avagliano D., Garavelli M., Nogueira J.J.

مصطلحات موضوعية: charge transfer, luciferine, luciferase, QM/MM

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/37306672; info:eu-repo/semantics/altIdentifier/wos/WOS:001004440900001; volume:25; firstpage:16507; lastpage:16519; numberofpages:13; journal:PHYSICAL CHEMISTRY CHEMICAL PHYSICS; https://hdl.handle.net/11585/953434Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85163416641; https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp01387aTest

الإتاحة: https://doi.org/10.1039/d3cp01387aTest
https://hdl.handle.net/11585/953434Test
https://pubs.rsc.org/en/content/articlelanding/2023/cp/d3cp01387aTest

المؤلفون: Taddei M., Garavelli M., Amirjalayer S., Conti I., Nenov A.

المساهمون: Taddei M., Garavelli M., Amirjalayer S., Conti I., Nenov A.

مصطلحات موضوعية: CASSCF/CASPT2, QM/MM, TD-DFT, mixed quantum-classical dynamic, time-resolved IR spectroscopy

وصف الملف: STAMPA

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/36677872; info:eu-repo/semantics/altIdentifier/wos/WOS:000916430700001; volume:28; issue:2; firstpage:1; lastpage:16; numberofpages:16; journal:MOLECULES; https://hdl.handle.net/11585/932039Test; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85146682098; https://www.mdpi.com/1420-3049/28/2/816Test

الإتاحة: https://doi.org/10.3390/molecules28020816Test
https://hdl.handle.net/11585/932039Test
https://www.mdpi.com/1420-3049/28/2/816Test

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