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Publications by Artur Michalak

Theoretical Description of Halogen Bonding – An Insight Based on the Natural Orbitals for Chemical Valence Combined With the Extended-Transition-State Method (ETS-NOCV)

Journal of Molecular Modeling
Organic ChemistryTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsMathematicsComputational TheoryCatalysisPhysical
2012English

ETS-NOCV Decomposition of the Reaction Force for Double-Proton Transfer in Formamide-Derived Systems

Journal of Molecular Modeling
Organic ChemistryTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsMathematicsComputational TheoryCatalysisPhysical
2017English

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Journal of Physical Chemistry A
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2014English

Application of Bonding Molecular Orbitals to the Valence Bands of Diamond

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
1973English

Organizing Radical Species in the Solid State With Halogen Bonding

Topics in Current Chemistry
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2014English

Quantum Chemical Investigations on the Structure, Bonding Orbitals, Frontier Molecular Orbitals and Reactivity Properties of Diphenylguanidine ? Vulcanizing Accelerator

Chemical Science Transactions
2019English

Description of Weak Halogen Bonding Using Various Levels of Symmetry-Adapted Perturbation Theory Combined With Effective Core Potentials

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2017English

On the Interplay Between Charge‐Shift Bonding and Halogen Bonding

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2020English

On Transition Time Testing Based on Extended Finite State Machines

1995English

Valence Virtual Orbitals: An Unambiguous Ab Initio Quantification of the LUMO Concept

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2015English

Estimation of Molecular Acidity via Electrostatic Potential at the Nucleus and Valence Natural Atomic Orbitals

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MedicineTheoretical ChemistryPhysical
2009English

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