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Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stressThe Assignment of Quantum Numbers for Electrons in Molecules. INuclear Motions Associated with Electron Transitions in Diatomic MoleculesHow Did the Tree of Knowledge Get Its Blossom? The Rise of Physical and Theoretical Chemistry, with an Eye on Berlin and LeipzigSimulation Evidence of Hexagonal-to-Tetragonal ZnSe Structure Transition: A Monolayer Material with a Wide-Range Tunable Direct BandgapLaser-induced steric effects in nonlinear processes from short laser pulses.Direct evidence for nonadiabatic dynamics in atom+polyatom reactions: crossed-jet laser studies of F+D2O-->DF+OD.Vibrational lifetimes of cyanide and carbon monoxide on noble and transition metal surfaces.Nonadiabatic simulation study of photoisomerization of azobenzene: detailed mechanism and load-resisting capacity.Space-time contours to treat intense field-dressed molecular states.Stopping power beyond the adiabatic approximation.Exploring dynamical electron theory beyond the Born-Oppenheimer framework: from chemical reactivity to non-adiabatically coupled electronic and nuclear wavepackets on-the-fly under laser field.Laser induced C(60) cage opening studied by semiclassical dynamics simulation.Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to ab initio theories of nonadiabatic molecule-surface interactions.Ultrafast internal conversion of aromatic molecules studied by photoelectron spectroscopy using Sub-20 fs laser pulses.Consequences of animal interactions on their dynamics: emergence of home ranges and territorialitySelected topics in lattice dynamics: a critical review (including breathers).Theoretical study of the relativistic molecular rotational g-tensor.Femtosecond dynamics coupled to chemical barrier crossing in a Born-Oppenheimer enzyme.Communication: Creation of molecular vibrational motions via the rotation-vibration coupling.Quantum theory of concerted electronic and nuclear fluxes associated with adiabatic intramolecular processes.Tracking the photodissociation probability of D(2)(+) induced by linearly chirped laser pulses.Unraveling Cold Molecular Collisions: Stark Decelerators in Crossed-Beam Experiments.Intrinsic and light-induced nonadiabatic phenomena in the NaI molecule.Singularity of the time-energy uncertainty in adiabatic perturbation and cycloids on a Bloch sphereParametric representation of open quantum systems and cross-over from quantum to classical environmentInvestigating the structural evolution of thiolate protected gold clusters from first-principles.Trajectory-based nonadiabatic dynamics with time-dependent density functional theory.Ab initio non-adiabatic molecular dynamics.Aqueous solutions: state of the art in ab initio molecular dynamics.The Golden Rule. Application for fun and profit in electron transfer, energy transfer, and excited-state decay.Estimating the intrinsic limit of the Feller-Peterson-Dixon composite approach when applied to adiabatic ionization potentials in atoms and small molecules.First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems.Electronically non-adiabatic influences in surface chemistry and dynamics.Potential-Energy Surfaces, the Born-Oppenheimer Approximations, and the Franck-Condon Principle: Back to the Roots.Michael Polanyi: Patriarch of Chemical Dynamics and Tacit Knowing.Perspective: Machine learning potentials for atomistic simulations.The effect of the exchange-correlation functional on H2 dissociation on Ru(0001).Vibrational energy transfer near a dissociative adsorption transition state: State-to-state study of HCl collisions at Au(111).Quantum-classical description of environmental effects on electronic dynamics at conical intersections.
P2860
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P2860
description
article
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в 1927
@uk
ലേഖനം
@ml
name
Zur Quantentheorie der Molekeln
@en
Zur Quantentheorie der Molekeln
@nl
type
label
Zur Quantentheorie der Molekeln
@en
Zur Quantentheorie der Molekeln
@nl
prefLabel
Zur Quantentheorie der Molekeln
@en
Zur Quantentheorie der Molekeln
@nl
P356
P1433
P1476
Zur Quantentheorie der Molekeln
@en
P304
P356
10.1002/ANDP.19273892002
P577
1927-01-01T00:00:00Z