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Diabatic and adiabatic representations: Electronic structure caveats
Yarkony, David R., Xie, Changjian, Zhu, Xiaolei, Wang, Yuchen, Malbon, Christopher L., Guo, Hua
Published in Computational and theoretical chemistry (15.03.2019)
Published in Computational and theoretical chemistry (15.03.2019)
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Excited state dynamics of DNA bases
Kleinermanns, Karl, Nachtigallová, Dana, de Vries, Mattanjah S.
Published in International reviews in physical chemistry (01.06.2013)
Published in International reviews in physical chemistry (01.06.2013)
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A survey of ab initio conical intersections for the H+H2 system
Halász, Gábor, Vibók, Ágnes, Mebel, Alexander M., Baer, Michael
Published in The Journal of chemical physics (15.02.2003)
Published in The Journal of chemical physics (15.02.2003)
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On the Wavelength-Dependent Photochemistry of the Atmospheric Molecule CF3COCl
Janoš, Jiří, Vinklárek, Ivo S., Rakovský, Jozef, Mukhopadhyay, Deb Pratim, Curchod, Basile F. E., Fárník, Michal, Slavíček, Petr
Published in ACS earth and space chemistry (16.11.2023)
Published in ACS earth and space chemistry (16.11.2023)
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Photochemical Dynamics of Ethylene Cation C2H4
Joalland, Baptiste, Mori, Toshifumi, Martínez, Todd J, Suits, Arthur G
Published in The journal of physical chemistry letters (17.04.2014)
Published in The journal of physical chemistry letters (17.04.2014)
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Few-fs resolution of a photoactive protein traversing a conical intersection
Hosseinizadeh, A., Breckwoldt, N., Fung, R., Sepehr, R., Schmidt, M., Schwander, P., Santra, R., Ourmazd, A.
Published in Nature (London) (25.11.2021)
Published in Nature (London) (25.11.2021)
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Assessment of noncollinear spin-flip Tamm-Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane
Huix-Rotllant, Miquel, Natarajan, Bhaarathi, Ipatov, Andrei, Muhavini Wawire, C, Deutsch, Thierry, Casida, Mark E
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
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Initial state-specific photodissociation dynamics of pyrrole via 1πσ∗/S0 conical intersection initiated with optimally controlled UV-laser pulses
Nandipati, K. R., Kanakati, Arun Kumar, Singh, H., Lan, Z., Mahapatra, S.
Published in The European physical journal. D, Atomic, molecular, and optical physics (01.09.2017)
Published in The European physical journal. D, Atomic, molecular, and optical physics (01.09.2017)
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Initial state-specific photodissociation dynamics of pyrrole via 1 π σ ∗/S 0 conical intersection initiated with optimally controlled UV-laser pulses
Nandipati, K. R., Kanakati, Arun Kumar, Singh, H., Lan, Z., Mahapatra, S.
Published in The European physical journal. D, Atomic, molecular, and optical physics (01.09.2017)
Published in The European physical journal. D, Atomic, molecular, and optical physics (01.09.2017)
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Nonadiabatic excited-state dynamics of polar π-systems and related model compounds of biological relevance
Barbatti, Mario, Ruckenbauer, Matthias, Szymczak, Jaroslaw J., Aquino, Adélia J. A., Lischka, Hans
Published in Physical chemistry chemical physics : PCCP (01.01.2008)
Published in Physical chemistry chemical physics : PCCP (01.01.2008)
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