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
2015.04
M. Costas and
M. Swart
"Summary and Outlook"
In
Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity,
M. Swart, M. Costas (Eds.), Wiley, 2015; Ch. 17,
435-437
10.1002/9781118898277.ch17
2015.03
C. Daul, M. Zlatar, M. Gruden-Pavlovic and
M. Swart
"Application of Density Functional and Density Functional Based Ligand Field Theory to Spin States"
In
Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity,
M. Swart, M. Costas (Eds.), Wiley, 2015; Ch. 2,
7-34
10.1002/9781118898277.ch2
2015.02
M. Swart and M. Costas
"General Introduction to Spin States"
In
Spin states in biochemistry and inorganic chemistry: Influence on Structure and Reactivity,
M. Swart, M. Costas (Eds.), Wiley, 2015; Ch. 1,
1-5
10.1002/9781118898277.ch1
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
:
AAM
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. Series 1999,
712, 220-232
10.1021/bk-1998-0712.ch014
