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

URL الوصول: http://arxiv.org/abs/2402.09873

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

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

مصطلحات موضوعية: Ultrafast photochemistry, cyclobutanone, time-resolved electron-diffraction spectroscopy, CASPT2, photo-fragmentation

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/pmid/38686819; info:eu-repo/semantics/altIdentifier/wos/WOS:001210980000007; volume:160; firstpage:1; lastpage:9; numberofpages:9; journal:THE JOURNAL OF CHEMICAL PHYSICS; https://hdl.handle.net/11585/997728

الاتاحة: https://hdl.handle.net/11585/997728
https://doi.org/10.1063/5.0203624
https://pubs.aip.org/aip/jcp/article-abstract/160/16/164316/3286815/Ultrafast-photochemistry-and-electron-diffraction?redirectedFrom=fulltext

المؤلفون: Segatta F., Ruiz D. A., Aleotti F., Yaghoubi M., Mukamel S., Garavelli M., Santoro F., Nenov A.

المساهمون: Segatta F., Ruiz D.A., Aleotti F., Yaghoubi M., Mukamel S., Garavelli M., Santoro F., Nenov A.

مصطلحات موضوعية: X-ray, quantum dynamic, MCTDH, non linear spectroscopy, UV

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/36961952; info:eu-repo/semantics/altIdentifier/wos/WOS:000959699100001; volume:19; issue:7; firstpage:2075; lastpage:2091; numberofpages:17; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/11585/932037; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85151269979

الاتاحة: https://hdl.handle.net/11585/932037
https://doi.org/10.1021/acs.jctc.2c01059
https://pubs.acs.org/doi/10.1021/acs.jctc.2c01059

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

Relation: 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/11585/952790; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85162813210

الاتاحة: https://hdl.handle.net/11585/952790
https://doi.org/10.1021/acs.jctc.3c00182
https://pubs.acs.org/doi/10.1021/acs.jctc.3c00182

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

Relation: 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/11585/953432; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85180933706

الاتاحة: https://hdl.handle.net/11585/953432
https://doi.org/10.1021/acs.jctc.3c00953
https://pubs.acs.org/doi/10.1021/acs.jctc.3c00953

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

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:001079514000001; volume:142; firstpage:1; lastpage:17; numberofpages:17; journal:THEORETICAL CHEMISTRY ACCOUNTS; https://hdl.handle.net/11585/953423; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85173783887; https://link.springer.com/article/10.1007/s00214-023-03035-3#Abs1

الاتاحة: https://hdl.handle.net/11585/953423
https://doi.org/10.1007/s00214-023-03035-3
https://link.springer.com/article/10.1007/s00214-023-03035-3#Abs1

المؤلفون: Montorsi F., Segatta F., Nenov A., Mukamel S., Garavelli M.

المساهمون: Montorsi F., Segatta F., Nenov A., Mukamel S., Garavelli M.

مصطلحات موضوعية: electronic structure, XANES, XPS, RASSCF/RASPT2, multi-reference methods

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/pmid/35073066; info:eu-repo/semantics/altIdentifier/wos/WOS:000763089700033; volume:18; issue:2; firstpage:1003; lastpage:1016; numberofpages:14; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/11585/879594; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85124120530

الاتاحة: https://hdl.handle.net/11585/879594
https://doi.org/10.1021/acs.jctc.1c00566

المؤلفون: Rocchetto, S., Segatta, F., Piagnani, A., Paggi, S., Bina, N., Di Paolo, D., Scardino, G., Terreni, N., Mandelli, G., Buscarini, E., Romeo, S., Alicante, S., Buda, A., Rizzotto, E. Rosa, Di Mitri, R., Hassan, C., Repici, A., Rondonotti, E., Radaelli, F.

المصدر: ESGE Days 2024 ; Endoscopy ; ISSN 1438-8812

الاتاحة: http://dx.doi.org/10.1055/s-0044-1783851
http://www.thieme-connect.de/products/ejournals/html/10.1055/s-0044-1783851

المؤلفون: Segatta F., Nenov A., Nascimento D. R., Govind N., Mukamel S., Garavelli M.

المساهمون: Segatta F., Nenov A., Nascimento D.R., Govind N., Mukamel S., Garavelli M.

مصطلحات موضوعية: CASSCF/CASPT2, displaced harmonic oscillator, line-shape function, linear and nonlinear optical spectroscopy simulation, TDDFT

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/33556195; info:eu-repo/semantics/altIdentifier/wos/WOS:000615952800001; volume:42; issue:9; firstpage:644; lastpage:659; numberofpages:16; journal:JOURNAL OF COMPUTATIONAL CHEMISTRY; https://hdl.handle.net/11585/845939; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85100821342

الاتاحة: https://hdl.handle.net/11585/845939
https://doi.org/10.1002/jcc.26485

المؤلفون: Keefer D., Rouxel J. R., Aleotti F., Segatta F., Garavelli M., Mukamel S.

المساهمون: Keefer D., Rouxel J.R., Aleotti F., Segatta F., Garavelli M., Mukamel S.

مصطلحات موضوعية: Conical intersection, Detection threshold, Diffractive imaging, Fast relaxation, Molecular potential energie, Spectroscopic detection, Time resolved x-ray diffraction, Transition state

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/34402612; info:eu-repo/semantics/altIdentifier/wos/WOS:000704514200039; volume:143; issue:34; firstpage:13806; lastpage:13815; numberofpages:10; journal:JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; https://hdl.handle.net/11585/845933; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85114172475

الاتاحة: https://hdl.handle.net/11585/845933
https://doi.org/10.1021/jacs.1c06068

المؤلفون: Nam Y., Keefer D., Nenov A., Conti I., Aleotti F., Segatta F., Lee J. Y., Garavelli M., Mukamel S.

المساهمون: Nam Y., Keefer D., Nenov A., Conti I., Aleotti F., Segatta F., Lee J.Y., Garavelli M., Mukamel S.

مصطلحات موضوعية: Conical intersections, ultrafast relaxation channels, thiouracil, X-ray-stimulated Raman spectroscopy, time-resolved X-ray diffraction, quantum nuclear wavepacket (WP) dynamics, vibronic coherences

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/pmid/34931839; info:eu-repo/semantics/altIdentifier/wos/WOS:000736068100001; volume:12; issue:51; firstpage:12300; lastpage:12309; numberofpages:10; journal:THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS; https://hdl.handle.net/11585/844751; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85121978037

الاتاحة: https://hdl.handle.net/11585/844751
https://doi.org/10.1021/acs.jpclett.1c03814

المؤلفون: Cavaletto S. M., Keefer D., Rouxel J. R., Aleotti F., Segatta F., Garavelli M., Mukamel S.

المساهمون: Cavaletto S.M., Keefer D., Rouxel J.R., Aleotti F., Segatta F., Garavelli M., Mukamel S.

مصطلحات موضوعية: Free-electron laser, Molecular coherence, Nonadiabatic dynamic, X-ray diffraction imaging

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/34050030; info:eu-repo/semantics/altIdentifier/wos/WOS:000659461200002; volume:118; issue:22; firstpage:1; lastpage:8; numberofpages:8; journal:PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA; https://hdl.handle.net/11585/845937; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85107230133

الاتاحة: https://hdl.handle.net/11585/845937
https://doi.org/10.1073/pnas.2105046118
https://www.pnas.org/doi/full/10.1073/pnas.2105046118

المؤلفون: Gu B., Nenov A., Segatta F., Garavelli M., Mukamel S.

المساهمون: Gu B., Nenov A., Segatta F., Garavelli M., Mukamel S.

مصطلحات موضوعية: Carbon atom, Cavity photon, Core excitation, Polariton, Two photon absorption, X-ray cavities

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/33605757; info:eu-repo/semantics/altIdentifier/wos/WOS:000648505600007; volume:126; issue:5; firstpage:1; lastpage:7; numberofpages:7; journal:PHYSICAL REVIEW LETTERS; https://hdl.handle.net/11585/845993; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85101030453

الاتاحة: https://hdl.handle.net/11585/845993
https://doi.org/10.1103/PhysRevLett.126.053201

المؤلفون: Segatta F., Rogers D. M., Dyer N. T., Guest E. E., Li Z., Do H., Nenov A., Garavelli M., Hirst J. D.

المساهمون: Segatta F., Rogers D.M., Dyer N.T., Guest E.E., Li Z., Do H., Nenov A., Garavelli M., Hirst J.D.

مصطلحات موضوعية: Aromatic chromophore, Computational spectroscopy, Electronic structure, Protein, Circular Dichroism, Peptide, Protein Conformation, Spectrophotometry, Ultraviolet

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/33451152; info:eu-repo/semantics/altIdentifier/wos/WOS:000611449400001; volume:26; issue:2; firstpage:1; lastpage:13; numberofpages:13; journal:MOLECULES; https://hdl.handle.net/11585/845999; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85100124893

الاتاحة: https://hdl.handle.net/11585/845999
https://doi.org/10.3390/MOLECULES26020396

المؤلفون: Segatta F., Russo M., Nascimento D. R., Presti D., Rigodanza F., Nenov A., Bonvicini A., Arcioni A., Mukamel S., Maiuri M., Muccioli L., Govind N., Cerullo G., Garavelli M.

المساهمون: Segatta F., Russo M., Nascimento D.R., Presti D., Rigodanza F., Nenov A., Bonvicini A., Arcioni A., Mukamel S., Maiuri M., Muccioli L., Govind N., Cerullo G., Garavelli M.

مصطلحات موضوعية: TDDFT RASPT2 2DES

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/pmid/34676761; info:eu-repo/semantics/altIdentifier/wos/WOS:000718183600035; volume:17; issue:11; firstpage:7134; lastpage:7145; numberofpages:12; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; https://hdl.handle.net/11585/844396; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85118768422

الاتاحة: https://hdl.handle.net/11585/844396
https://doi.org/10.1021/acs.jctc.1c00570

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

المصدر: The Journal of Chemical Physics

Relation: http://hdl.handle.net/21.11116/0000-000F-4198-C

الاتاحة: http://hdl.handle.net/21.11116/0000-000F-4198-C

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

Relation: 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/11585/785774; 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-Molcas

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

المؤلفون: Segatta F., Nenov A., Orlandi S., Arcioni A., Mukamel S., Garavelli M.

المساهمون: Segatta F., Nenov A., Orlandi S., Arcioni A., Mukamel S., Garavelli M.

مصطلحات موضوعية: X-ray, NEXAFS, photo-induced dynamic, conical intersection, azobenzene

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/31552404; info:eu-repo/semantics/altIdentifier/wos/WOS:000505590900012; volume:221; firstpage:245; lastpage:264; numberofpages:20; journal:FARADAY DISCUSSIONS; https://hdl.handle.net/11585/732415; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85072580743

الاتاحة: https://hdl.handle.net/11585/732415
https://doi.org/10.1039/c9fd00073a

المؤلفون: Segatta F., Cupellini L., Garavelli M., Mennucci B.

المساهمون: Segatta F., Cupellini L., Garavelli M., Mennucci B.

مصطلحات موضوعية: Quantum Chemical Modeling Photoinduced processes Multichromophoric Biosystems

وصف الملف: STAMPA

Relation: info:eu-repo/semantics/altIdentifier/pmid/31276384; info:eu-repo/semantics/altIdentifier/wos/WOS:000484061800001; volume:119; issue:16; firstpage:9361; lastpage:9380; numberofpages:20; journal:CHEMICAL REVIEWS; info:eu-repo/grantAgreement/EC/H2020/765266; http://hdl.handle.net/11585/731542; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85071715629; http://pubs.acs.org/journal/chreay

الاتاحة: http://hdl.handle.net/11585/731542
https://doi.org/10.1021/acs.chemrev.9b00135
http://pubs.acs.org/journal/chreay
https://pubs.acs.org/doi/10.1021/acs.chemrev.9b00135

المؤلفون: Nenov A., Borrego-Varillas R., Oriana A., Ganzer L., Segatta F., Conti I., Segarra-Marti J., Omachi J., Dapor M., Taioli S., Manzoni C., Mukamel S., Cerullo G., Garavelli M.

المساهمون: Nenov, A., Borrego-Varillas, R., Oriana, A., Ganzer, L., Segatta, F., Conti, I., Segarra-Marti, J., Omachi, J., Dapor, M., Taioli, S., Manzoni, C., Mukamel, S., Cerullo, G., Garavelli, M.

Relation: info:eu-repo/semantics/altIdentifier/pmid/29504764; info:eu-repo/semantics/altIdentifier/wos/WOS:000429626900012; volume:9; issue:7; firstpage:1534; lastpage:1541; numberofpages:8; journal:THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS; http://hdl.handle.net/11311/1123071; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85044990472; http://pubs.acs.org/journal/jpclcd

الاتاحة: http://hdl.handle.net/11311/1123071
https://doi.org/10.1021/acs.jpclett.8b00152
http://pubs.acs.org/journal/jpclcd