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T

Torsten Hahn

technical university freiberg

H指数:18

被引数:931

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Interpretation and Automatic Generation of Fermi-Orbital Descriptors

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2019-09-1031

OAAI

Magnetic Signatures of Hydroxyl- and Water-Terminated Neutral and Tetra-Anionic Mn12-Acetate

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2019-07-0310

OAAI

Stretched or noded orbital densities and self-interaction correction in density functional theory

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2019-05-0158

OAAI

Analytic atomic gradients in the fermi-lowdin orbital self-interaction correction

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2018-12-2722

PREAI

Fermi-Lowdin orbital self-interaction corrected density functional theory: Ionization potentials and enthalpies of formation

费米-洛丁轨道自相互作用校正的密度泛函理论: 电离势和形成焓

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2018-10-1141

PREAI

Symmetry Breaking within Fermi-Lowdin Orbital Self-Interaction Corrected Density Functional Theory

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2017-11-2010

PREAI

Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Lowdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-10-2448

OAAI

Electronic properties of the charge transfer material MnPc/F4TCNQ

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-09-1910

PREAI

Tunable charge transfer properties in metal-phthalocyanine heterojunctions

IF5.1

2016-01-0119

OAAI

Magnetic superexchange interactions: trinuclear bis(oxamidato) versus bis(oxamato) type complexes

DALTON TRANSACTIONS

IF3.3

2015-01-0116

OAAI

Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane

CRYSTAL GROWTH & DESIGN

IF3.4

2014-02-1464

PREAI

A gate controlled molecular switch based on picene-F4TCNQ charge-transfer material

IF5.1

2014-01-016

OAAI

Systematic theoretical investigation of the phthalocyanine based dimer: MnPcδ+/F16CoPcδ-

PHYSICAL REVIEW B

IF3.7

2013-03-188

PREAI

Phthalocyanine dimers in a blend: Spectroscopic and theoretical studies of MnPcδ +/F16CoPcδ -

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-01-1417

PREAI

Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(μ-S2)NiN3 core: synthesis, characterization, crystal structure and magnetic properties

DALTON TRANSACTIONS

IF3.3

2013-01-0118

PREAI

Stabilization of Hypophosphite in the Binding Pocket of a Dinuclear Macrocyclic Complex: Synthesis, Structure, and Properties of [Ni2L(μ-O2PH2)]BPh4 (L = N6S2 Donor Ligand)

INORGANIC CHEMISTRY

IF4.7

2012-11-059

PREAI

Electronic properties of 1,2;8,9-dibenzopentacene thin films: A joint experimental and theoretical study

PHYSICAL REVIEW B

IF3.7

2012-07-238

PREAI

Electronic properties of spiro compounds for organic electronics

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-03-289

PREAI

Electronic states and the influence of oxygen addition on the optical absorption behaviour of manganese phthalocyanine

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2012-02-1019

PREAI

An interplay between the spin density distribution and magnetic superexchange interactions: a case study of mononuclear [nBu4N]2[Cu(opooMe)] and novel asymmetric trinuclear [Cu3(opooMe)(pmdta)2](NO3)2•3MeCN

DALTON TRANSACTIONS

IF3.3

2012-01-0117

OA