0000000000974273

AUTHOR

Roberto Marquardt

showing 2 related works from this author

Laser-induced enhancement of tunneling in NHD2

2012

We apply and explore techniques aiming at enhancing the tunneling by laser fields, originally developed for a one-dimensional model, to a complete six-dimensional vibrational model of the inversion motion in NHD(2). The computational study is performed with the multi-configuration time-dependent Hartree method. Assuming an ideal three-dimensional alignment we obtain a driven tunneling time twenty times smaller than the natural one, in rather good agreement with an oversimplified three-state model. In the case of one-dimensional alignment, a linearly polarized field leads to a poor enhancement of the tunneling probability, after averaging over the rotation about the alignment axis, whereas a…

010304 chemical physicsChemistryLinear polarizationScanning tunneling spectroscopyGeneral Physics and AstronomyHartreeLaser01 natural scienceslaw.invention[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistrylaw0103 physical sciences[ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistryPhysical and Theoretical ChemistryAtomic physics010306 general physicsTunneling timeQuantum tunnellingComputingMilieux_MISCELLANEOUS
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Definition of the halogen bond (IUPAC Recommendations 2013)

2013

This recommendation proposes a definition for the term “halogen bond”, which designates a specific subset of the inter- and intramolecular interactions involving a halogen atom in a molecular entity.

Halogen bondComputational chemistryChemistryGeneral Chemical EngineeringIntramolecular forceChemical nomenclatureSupramolecular chemistryAtom (order theory)Organic chemistryGeneral ChemistryMolecular entityPure and Applied Chemistry
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