His primary areas of study are Computational chemistry, Density functional theory, Stereochemistry, Reactivity and SN2 reaction. His Computational chemistry study combines topics in areas such as Chemical physics, Ab initio, Stacking, Relativistic quantum chemistry and Hydrogen bond. His Density functional theory study combines topics from a wide range of disciplines, such as Aromaticity, Molecular physics, Electrostatics, Oxidative addition and Halogen bond.
F. Matthias Bickelhaupt has included themes like Crystallography, Nucleobase, Strain and Medicinal chemistry in his Stereochemistry study. His studies in Reactivity integrate themes in fields like Cycloaddition, Catalysis, Reaction mechanism, Reaction coordinate and Photochemistry. His study in SN2 reaction is interdisciplinary in nature, drawing from both Solvation, Physical chemistry, Potential energy, Solvent effects and Nucleophilic substitution.
His scientific interests lie mostly in Computational chemistry, Crystallography, Density functional theory, Reactivity and Stereochemistry. His Computational chemistry research includes themes of Molecular orbital theory, Molecule, Molecular orbital, SN2 reaction and Nucleophilic substitution. F. Matthias Bickelhaupt has researched Crystallography in several fields, including Silicon, Inorganic chemistry, Steric effects, Hypervalent molecule and Alkali metal.
His work in Density functional theory addresses issues such as Hydrogen bond, which are connected to fields such as Base pair, DNA and Stacking. His Reactivity research incorporates elements of Cycloaddition, Interaction energy, Photochemistry, Transition state and Reaction mechanism. His Stereochemistry research integrates issues from Nucleobase, Catalysis and Medicinal chemistry.
F. Matthias Bickelhaupt mainly focuses on Reactivity, Computational chemistry, Molecular orbital, Density functional theory and Crystallography. The concepts of his Reactivity study are interwoven with issues in Rational design, Cycloaddition, Catalysis and Electric field. His research in Computational chemistry intersects with topics in Regioselectivity, Ligand, Interaction energy, Nucleophile and Nucleophilic substitution.
His research in the fields of Molecular orbital theory overlaps with other disciplines such as Diene. He studied Density functional theory and Alkali metal that intersect with Affinities. His Crystallography research is multidisciplinary, relying on both Transition metal, Coordination number, Space, Carbon and Polar.
Reactivity, Computational chemistry, Density functional theory, Molecular orbital and Cycloaddition are his primary areas of study. His Reactivity research is multidisciplinary, incorporating perspectives in Diels–Alder reaction, Photochemistry, Crystallography and Coordination complex. His work carried out in the field of Computational chemistry brings together such families of science as Halogen bond, Nucleophile and Interaction energy.
The Density functional theory study combines topics in areas such as Borohydride, Quantum chemical, Boranes and Borane. The various areas that F. Matthias Bickelhaupt examines in his Molecular orbital study include Catalysis and Cyclopentadiene. His Cycloaddition research is multidisciplinary, incorporating elements of Combinatorial chemistry, Strain and Reaction mechanism.
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Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis.
Célia Fonseca Guerra;Jan-Willem Handgraaf;Evert Jan Baerends;F. Matthias Bickelhaupt.
Journal of Computational Chemistry (2004)
The activation strain model of chemical reactivity
Willem-Jan van Zeist;F. Matthias Bickelhaupt.
Organic and Biomolecular Chemistry (2010)
Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model
F. Matthias Bickelhaupt;F. Matthias Bickelhaupt;Kendall N. Houk.
Angewandte Chemie (2017)
Understanding reactivity with Kohn–Sham molecular orbital theory: E2–SN2 mechanistic spectrum and other concepts
F. Matthias Bickelhaupt.
Journal of Computational Chemistry (1999)
The activation strain model and molecular orbital theory: understanding and designing chemical reactions.
Israel Fernández;F. Matthias Bickelhaupt;F. Matthias Bickelhaupt.
Chemical Society Reviews (2014)
Hydrogen–Hydrogen Bonding in Planar Biphenyl, Predicted by Atoms‐In‐Molecules Theory, Does Not Exist
Jordi Poater;Miquel Solà;F. Matthias Bickelhaupt.
Chemistry: A European Journal (2006)
Absolute rates of hole transfer in DNA
Kittusamy Senthilkumar;Ferdinand C. Grozema;Célia Fonseca Guerra;F. Matthias Bickelhaupt.
Journal of the American Chemical Society (2005)
The case for steric repulsion causing the staggered conformation of ethane
F. Matthias Bickelhaupt;Evert Jan Baerends.
Angewandte Chemie (2003)
The Carbon−Lithium Electron Pair Bond in (CH3Li)n (n = 1, 2, 4)
F. Matthias Bickelhaupt;Nicolaas J. R. van Eikema Hommes;and Célia Fonseca Guerra;Evert Jan Baerends.
Orbital overlap and chemical bonding.
Andreas Krapp;F. Matthias Bickelhaupt;Gernot Frenking.
Chemistry: A European Journal (2006)
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