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2009
Mark Are mixed explicit/implicit solvation models reliable for studying phosphate hydrolysis? : A comparative study of continuum, explicit and mixed solvation models
Kamerlin, Shina C L ^LU ; Haranczyk, Maciej and Warshel, Arieh (2009) In ChemPhysChem 10(7). p.34-1125
- Contribution to journal › Article
2008
Mark Photofragmentation of 2-deoxy-D-ribose molecules in the gas phase
Vall-llosera, Gemma ^LU ; Huels, Michael A. ; Coreno, Marcello ; Kivimäki, Antti ; Jakubowska, Katarzyna ; Stankiewicz, Marek and Rachlew, Elisabeth (2008) In ChemPhysChem 9(7). p.1020-1029
- Contribution to journal › Article
Mark Associative versus dissociative mechanisms of phosphate monoester hydrolysis : on the interpretation of activation entropies
Kamerlin, Shina C L ^LU ; Florián, Jan and Warshel, Arieh (2008) In ChemPhysChem 9(12). p.73-1767
- Contribution to journal › Article
2007
Mark Spin-orbit ab initio investigation of the ultraviolet photolysis of diiodomethane
Liu, Ya-Jun ^LU ; De Vico, Luca ^LU ; Lindh, Roland ^LU and Fang, Wei-Hai (2007) In ChemPhysChem 8(6). p.890-898
- Contribution to journal › Article
Mark Extending the Light-Harvesting Properties of Transition-Metal Dendrimers
Larsen, Jane ^LU ; Puntoriero, Fausto ; Pascher, Torbjörn ^LU ; McClenaghan, Nathan ; Campagna, Sebastiano ; Åkesson, Eva ^LU and Sundström, Villy ^LU (2007) In ChemPhysChem 8(18). p.2643-2651
- Contribution to journal › Article
Mark Ethanol adsorption, decomposition and oxidation on Ir(111): A high resolution XPS study
Weststrate, Cornelis ^LU ; Ludwig, Wiebke ; Bakker, Johan W ; Gluhoi, Andreea C and Nieuwenhuys, Bernard E (2007) In ChemPhysChem 8(6). p.932-937
- Contribution to journal › Article
Mark Calculation of EPR g tensors for transition-metal complexes based on multiconfigurational perturbation theory (CASPT2)
Vancoillie, Steven ; Malmqvist, Per-Åke ^LU and Pierloot, Kristine (2007) In ChemPhysChem 8(12). p.1803-1815
- Contribution to journal › Article
Mark Theoretical predictions of the coordination of water to the polar headgroup of dimethyldodecylamine-N-oxide
Öhrn, Anders ^LU and Karlström, Gunnar ^LU (2007) In ChemPhysChem 8(4). p.523-525
- Contribution to journal › Article
2006
Mark Spin-orbit ab initio investigation of the photolysis of bromoiodomethane
Liu, Ya-Jun ^LU ; Ajitha, D ; Krogh, Jesper Wisborg ^LU ; Tarnovsky, AN and Lindh, Roland ^LU (2006) In ChemPhysChem 7(4). p.955-963
- Contribution to journal › Article
Mark The excited-state chemistry of protochlorophyllide a: A time-resolved fluorescence study
Dietzek, Benjamin ; Kiefer, Wolfgang ; Yartsev, Arkady ^LU ; Sundström, Villy ^LU ; Schellenberg, Peter ; Grigaravicius, Paulius ; Hermann, Gudrun ; Popp, Jurgen and Schmitt, Michael (2006) In ChemPhysChem 7(8). p.1727-1733
- Contribution to journal › Article

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