i20xx.xx M. Swart and P.Th. van Duijnen
"Polarizable force fields"
In A course on Biomolecular Simulations, J. Villà Freixa (Ed.), Huygens Editorial, Ch. 12, in press xx-xx
2024
2024.01 M. Swart
"Quantum-mechanics approaches in bioinorganic chemistry: targeting the oxidation state"
In Advances in Computational Bioinorganics: From Description to Prediction, J.D. Marechal (Ed.), Wiley, 2024; accepted
2021
2021.01
A.C. Castro and M. Swart
"Recent advances in computational NMR spectrum prediction"
In Computational Techniques for Analytical Chemistry and Bioanalysis, P.B. Wilson, M. Grootveld (Eds.), Royal Society of Chemistry, 2021; Ch. 2, 41-68 10.1039/9781788015882-00041
2020
2020.01 M. Swart
"Dealing with spin states in computational organometallic catalysis"
In New Directions in the Modeling of Organometallic Reactions, A. LLedos, G. Ujaque (Eds.), Springer, 2020; (Topics in Organometallic Chemistry Vol. 67); Ch. 8, p. 191-226
10.1007/3418_2020_49
2019
2019.01
M. Gruden, W.R. Browne, M. Swart, C. Duboc
"Computational vs. experimental spectroscopy for transition-metals"
In Transition metals in coordination environments: computational chemistry and catalysis viewpoints, E. Broclawik, T. Borowski, M. Radon (Eds.), Springer, 2019; Ch. 6, 161-183 10.1007/978-3-030-11714-6_6
2015.01
M. Garcia-Borràs, S. Osuna, J.M. Luis, M. Swart and M. Solà
"Understanding the Exohedral Functionalization of Endohedral Metallofullerenes"
In Exotic Properties of Carbon Nanomatter, M.V. Putz, O. Ori (Eds.), Springer Verlag, Berlin-London-New York, 2015, Ch. 4, p. 67-99
10.1007/978-94-017-9567-8_4
2011
2011.01
S. Osuna, M. Swart and M. Solà
"The Chemical Reactivity of Fullerenes and Endohedral Fullerenes: A Theoretical Perspective"
In Carbon Bonding and Structures: Advances in Physics and Chemistry, M.V. Putz (Ed.), Springer Verlag, Berlin-London-New York, 2011, Ch. 4, p. 57-78
10.1007/978-94-007-1733-6_4
2010
2010.02 M. Swart, M. Güell and M. Solà
"Accurate description of spin states and its implications for catalysis"
In "Quantum Biochemistry: Electronic structure and biological activity";
Matta, C.F. (Ed.); Wiley, 2010, Vol. 2, Ch. 19, p. 551-583
10.1002/9783527629213.ch19
2010.01 M. Swart, M. Solà and F.M. Bickelhaupt
"Constraining optimized exchange"
In "Handbook of Computational Chemistry Research"; C.T. Collett, C.D. Robson (Ed.); Nova Science, 2010, 97-125 -
2008
2008.01
P.Th. van Duijnen, M. Swart and L. Jensen
"The Discrete Reaction Field approach for calculating solvent effects"
In "Solvation Effects on Molecules and Biomolecules: Computational Methods and Applications";
Springer Series "Challenges and Advances in Computational Chemistry and Physics", Vol. 6;
S. Canuto (Ed.); Springer, 2008, p. 39-102
10.1007/978-1-4020-8270-2_3
1999
1999.01
P.Th. van Duijnen, M. Swart and F.C. Grozema
"QM/MM calculation of (hyper-)polarizabilities with the Direct Reaction Field approach"
In ACS Symp. Series1999, 712, 220-232
10.1021/bk-1998-0712.ch014