YANG, XUCHUN
YANG, XUCHUN
Dipartimento di Biotecnologie, Chimica e Farmacia
Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency
2024-01-01 Blanco-Gonzalez, Alejandro; Manathunga, Madushanka; Yang, Xuchun; Olivucci, Massimo
Effects of counter ion protonation on the ultrafast excited-state dynamics in archaerhodopsin-3
2026-01-01 Herasymenko, Krystyna; Walisinghe, Danushka; Konno, Masae; Ledentu, Vincent; Huix-Rotllant, Miquel; Yang, Xuchun; Ferré, Nicolas; Inoue, Keiichi; Olivucci, Massimo; Haacke, Stefan
Picosecond quantum-classical dynamics reveals that the coexistence of light-induced microbial and animal chromophore rotary motion modulates the isomerization quantum yield of heliorhodopsin
2024-01-01 Palombo, Riccardo; Barneschi, Leonardo; Pedraza-González, Laura; Yang, Xuchun; Olivucci, Massimo
Rhodopsin charge diffusion computations disclose contrasting color-tuning mechanisms
2025-01-01 Sacchetta, Filippo; Yang, Xuchun; Olivucci, Massimo
Structural insights into spectral tuning and retinal exchange in cone visual pigments
2026-01-01 Ohashi, Sayaka; Katayama, Kota; Kojima, Asato; Yang, Xuchun; Fukuda, Masahiro; Sacchetta, Filippo; Suno, Ryoji; Sugita, Yukihiko; Nuemket, Nipawan; Kim, Suhyang; Kobayashi, Kazuhiro; Imai, Hiroo; Iwata, So; Nango, Eriko; Kobayashi, Takuya; Noda, Takeshi; Olivucci, Massimo; Kato, Hideaki E.; Kandori, Hideki
The OpenMolcas Web: a community-driven approach to advancing computational chemistry
2023-01-01 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; 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
| Titolo | Data di pubblicazione | Autore(i) | File | Abstract |
|---|---|---|---|---|
| Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency | 1-gen-2024 | Blanco-Gonzalez, Alejandro; Manathunga, Madushanka; Yang, Xuchun; Olivucci, Massimo | - | |
| Effects of counter ion protonation on the ultrafast excited-state dynamics in archaerhodopsin-3 | 1-gen-2026 | Herasymenko, Krystyna; Walisinghe, Danushka; Konno, Masae; Ledentu, Vincent; Huix-Rotllant, Miquel; Yang, Xuchun; Ferré, Nicolas; Inoue, Keiichi; Olivucci, Massimo; Haacke, Stefan | - | |
| Picosecond quantum-classical dynamics reveals that the coexistence of light-induced microbial and animal chromophore rotary motion modulates the isomerization quantum yield of heliorhodopsin | 1-gen-2024 | Palombo, Riccardo; Barneschi, Leonardo; Pedraza-González, Laura; Yang, Xuchun; Olivucci, Massimo | - | |
| Rhodopsin charge diffusion computations disclose contrasting color-tuning mechanisms | 1-gen-2025 | Sacchetta, Filippo; Yang, Xuchun; Olivucci, Massimo | - | |
| Structural insights into spectral tuning and retinal exchange in cone visual pigments | 1-gen-2026 | Ohashi, Sayaka; Katayama, Kota; Kojima, Asato; Yang, Xuchun; Fukuda, Masahiro; Sacchetta, Filippo; Suno, Ryoji; Sugita, Yukihiko; Nuemket, Nipawan; Kim, Suhyang; Kobayashi, Kazuhiro; Imai, Hiroo; Iwata, So; Nango, Eriko; Kobayashi, Takuya; Noda, Takeshi; Olivucci, Massimo; Kato, Hideaki E.; Kandori, Hideki | - | |
| The OpenMolcas Web: a community-driven approach to advancing computational chemistry | 1-gen-2023 | 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; 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 | - |