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Critique of the Heitler-London Method of Calculating Spin Couplings at Large DistancesEssay: Fifty Years of Condensed Matter PhysicsA molecular fragment cheminformatics roadmap for mesoscopic simulationHow Did the Tree of Knowledge Get Its Blossom? The Rise of Physical and Theoretical Chemistry, with an Eye on Berlin and LeipzigTheory and practice of uncommon molecular electronic configurationsFace the Edges: Catalytic Active Sites of NanomaterialsDevelopment of Multiscale Models for Complex Chemical Systems: From H+H2to Biomolecules (Nobel Lecture)Aerobic damage to [FeFe]-hydrogenases: activation barriers for the chemical attachment of O2.Calculation of two-photon absorption strengths with the approximate coupled cluster singles and doubles model CC2 using the resolution-of-identity approximation.Analytic calculation of second-order electric response properties with the normalized elimination of the small component (NESC) method.Origin-independent two-photon circular dichroism calculations in coupled cluster theory.Calculations of electric dipole moments and static dipole polarizabilities based on the two-component normalized elimination of the small component method.Diamond, diamond cells, and the structure of element 11.Pyrrolo[3,2-b]pyrroles-From Unprecedented Solvatofluorochromism to Two-Photon Absorption.Metallobacteriochlorophylls as potential dual agents for photodynamic therapy and chemotherapy.Ammonium adsorption on Brønsted acidic centers on low-index vanadium pentoxide surfaces.Ligation of water to magnesium chelates of biological importanceElectrocatalysis: theory and experiment at the interface.From transistor to trapped-ion computers for quantum chemistry.Biomolecularmodeling and simulation: a field coming of age.Computational enzyme design.Theoretical determination of spin Hamiltonians with isotropic and anisotropic magnetic interactions in transition metal and lanthanide complexes.Communication: Density functional theory embedding with the orthogonality constrained basis set expansion procedure.An electrically actuated molecular toggle switch.Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?Electronically non-adiabatic influences in surface chemistry and dynamics.In silico environmental chemical science: properties and processes from statistical and computational modelling.Theoretical calculation of polarizability isotope effects.Communication: Spin-free quantum computational simulations and symmetry adapted states.Embedded cluster density functional and second-order Møller-Plesset perturbation theory study on the adsorption of N2 on the rutile (110) surface.Compactness aromaticity of atoms in molecules.Preparation, structural characterization, and decomposition studies of two new γ-octamolybdates of 4-methylpyridineLinear-scaling implementation of the direct random-phase approximation.Factors controlling the reactivity of divalent metal ions towards pheophytin aThe bondons: the quantum particles of the chemical bond.Aluminium-catalysed intramolecular hydroamination of aminoalkenes: computational perusal of alternative pathways for aminoalkene activation.Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II.Crystal structure of rubidium methyl-diazo-tate.Vibrational coherence transfer in an electronically decoupled molecular dyad.Assembly of pi-conjugated phosphole azahelicene derivatives into chiral coordination complexes: an experimental and theoretical study.
P2860
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P2860
description
im April 1929 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 1929
@uk
name
Quantum Mechanics of Many-Electron Systems
@en
Quantum Mechanics of Many-Electron Systems
@nl
type
label
Quantum Mechanics of Many-Electron Systems
@en
Quantum Mechanics of Many-Electron Systems
@nl
prefLabel
Quantum Mechanics of Many-Electron Systems
@en
Quantum Mechanics of Many-Electron Systems
@nl
P356
P1476
Quantum Mechanics of Many-Electron Systems
@en
P304
P356
10.1098/RSPA.1929.0094
P50
P577
1929-04-06T00:00:00Z