Browsing by Author Lindh, Roland

Showing results 1 to 10 of 10
Issue DateTitleAuthor(s)Third Mission
2008Ab initio investigation on the chemical origin of the firefly bioluminescenceLiu, Ya Jun; De Vico, Luca ; Lindh, RolandNot applicable
2009A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitationLiu, Fengyi; Liu, Yajun; De Vico, Luca ; Lindh, RolandNot applicable
2007Chemiluminescence of 1,2-dioxetane. Reaction mechanism uncoveredDe Vico, Luca ; Liu, Ya Jun; Krogh, Jesper Wisborg; Lindh, RolandNot applicable
2009Location of two seams in the proximity of the C2v ππ* minimum energy path of formaldehydeDe Vico, Luca ; Lindh, RolandNot applicable
2020Modern quantum chemistry with [Open]MolcasAquilante, Francesco; Autschbach, Jochen; Baiardi, Alberto; Battaglia, Stefano; Borin, Veniamin A.; Chibotaru, Liviu F.; Conti, Irene; De Vico, Luca ; Delcey, Mickaël; Fdez. Galván, Ignacio; Ferré, Nicolas; Freitag, Leon; Garavelli, Marco; Gong, Xuejun; Knecht, Stefan; Larsson, Ernst D.; Lindh, Roland; Lundberg, Marcus; Malmqvist, Per Åke; Nenov, Artur; Norell, Jesper; Odelius, Michael; Olivucci, Massimo ; Pedersen, Thomas B.; Pedraza-González, Laura Milena; Phung, Quan M.; Pierloot, Kristine; Reiher, Markus; Schapiro, Igor; Segarra-Martí, Javier; Segatta, Francesco; Seijo, Luis; Sen, Saumik; Sergentu, Dumitru-Claudiu; Stein, Christopher J.; Ungur, Liviu; Vacher, Morgane; Valentini, Alessio; Veryazov, ValeraNot applicable
2016Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic tableAquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K; Chibotaru, Liviu F; Delcey, Mickaël G; De Vico, Luca ; Fdez Galván, Ignacio; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo ; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra Martí, Javier; Stenrup, Michael; Truhlar, Donald G; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P; Weingart, Oliver; Zapata, Felipe; Lindh, RolandNot applicable
2010Software news and update MOLCAS 7: The next generationAquilante, Francesco; De Vico, Luca ; Ferre', NICOLAS LIONEL; Ghigo, Giovanni; Malmqvist, Per Åke; Neogrády, Pavel; Pedersen, Thomas Bondo; Pitoňák, Michal; Reiher, Markus; Roos, Björn O.; Serrano Andrés, Luis; Urban, Miroslav; Veryazov, Valera; Lindh, RolandNot applicable
2007Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethaneLiu, Ya Jun; De Vico, Luca ; Lindh, Roland; Fang, Wei HaiNot applicable
2015A surface hopping algorithm for nonadiabatic minimum energy path calculationsSchapiro, Igor; Roca Sanjuán, Daniel; Lindh, Roland; Olivucci, Massimo Not applicable
2009Theoretical study of the chemiluminescent decomposition of dioxetanoneLiu, Fengyi; Liu, Yajun; De Vico, Luca ; Lindh, RolandNot applicable