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exaly
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Department of Chemical Physics
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Top Articles
Department of Chemical Physics
47
(top 2%)
papers
2.2K
(top 1%)
citations
27
(top 1%)
h
-index
44
(top 1%)
g
-index
53
all documents
2.3K
doc citations
495
citing journals
47
times ranked
Top Articles
#
Title
Journal
Year
Citations
1
Graphite and Hexagonal Boron-Nitride have the Same Interlayer Distance. Why?
Journal of Chemical Theory and Computation
2012
256
2
Robust Superlubricity in Graphene/
h
-BN Heterojunctions
Journal of Physical Chemistry Letters
2013
184
3
Solvent effects on the energy landscapes and folding kinetics of polyalanine
Proceedings of the National Academy of Sciences of the United States of America
2001
146
4
Plasmonic Chiroptical Response of Silver Nanoparticles Interacting with Chiral Supramolecular Assemblies
Journal of the American Chemical Society
2012
144
5
Why Are Diphenylalanine-Based Peptide Nanostructures so Rigid? Insights from First Principles Calculations
Journal of the American Chemical Society
2014
136
6
Accurate Prediction of the Electronic Properties of Low-Dimensional Graphene Derivatives Using a Screened Hybrid Density Functional
Accounts of Chemical Research
2011
115
7
Chiroptical Effects in Planar Achiral Plasmonic Oriented Nanohole Arrays
Nano Letters
2012
84
8
Nonlinear two-dimensional terahertz photon echo and rotational spectroscopy in the gas phase
Proceedings of the National Academy of Sciences of the United States of America
2016
81
9
Interlayer commensurability and superlubricity in rigid layered materials
Physical Review B
2012
80
10
Inter-layer potential for hexagonal boron nitride
Journal of Chemical Physics
2014
72
11
Relation between 2D/3D chirality and the appearance of chiroptical effects in real nanostructures
Optics Express
2016
70
12
Geometric versus topological clustering: An insight into conformation mapping
Optics Express
1997
69
13
The Registry Index: A Quantitative Measure of Materials′ Interfacial Commensurability
ChemPhysChem
2013
62
14
Representing protein and peptide structures with parallel-coordinates
Journal of Computational Chemistry
1997
57
15
State Representation Approach for Atomistic Time-Dependent Transport Calculations in Molecular Junctions
Journal of Chemical Theory and Computation
2014
56
16
Interlayer Registry to Determine the Sliding Potential of Layered Metal Dichalcogenides: The Case of
2H
-MoS
2
Journal of Physical Chemistry Letters
2012
46
17
Principal coordinate maps of molecular potential energy surfaces
Journal of Computational Chemistry
1998
45
18
Effect of Conformational Constraints on the Topography of Complex Potential Energy Surfaces
Physical Review Letters
1998
45
19
Flexibility, Conformation Spaces, and Bioactivity
Journal of Physical Chemistry B
2000
41
20
Thermopower measurements on individual 30 nm nickel nanowires
Nanotechnology
2007
41
21
Enzymatically Incorporated Genomic Tags for Optical Mapping of DNA‐Binding Proteins
Angewandte Chemie - International Edition
2012
40
22
Helix-coil transition of PrP106-126: Molecular dynamic study
Proteins: Structure, Function and Bioinformatics
2001
39
23
Conformational polymorphism of wild-type and mutant prion proteins: Energy landscape analysis
Proteins: Structure, Function and Bioinformatics
2002
37
24
Molecule–Lead Coupling at Molecular Junctions: Relation between the Real- and State-Space Perspectives
Journal of Chemical Theory and Computation
2015
33
25
Effects of Edge Oxidation on the Structural, Electronic, and Magnetic Properties of Zigzag Boron Nitride Nanoribbons
Journal of Chemical Theory and Computation
2014
30
26
Eigenvalue spectrum of the master equation for hierarchical dynamics of complex systems
Physical Chemistry Chemical Physics
2002
29
27
Controlling the Electronic Properties of Nanodiamonds via Surface Chemical Functionalization: A DFT Study
Journal of Physical Chemistry C
2014
28
28
Magnetization Dynamics from Time-Dependent Noncollinear Spin Density Functional Theory Calculations
Journal of Chemical Theory and Computation
2015
28
29
Quantitative visualization of a macromolecular potential energy “funnel”
Computational and Theoretical Chemistry
1997
25
30
Some new aspects of dendrimer applications
Journal of Luminescence
2005
24
31
Edge Chemistry Effects on the Structural, Electronic, and Electric Response Properties of Boron Nitride Quantum Dots
Journal of Physical Chemistry C
2014
23
32
Segmented metal nanowires as nanoscale thermocouples
Nanotechnology
2008
21
33
Bismuth nanowires with very low lattice thermal conductivity as revealed by the 3ω method
Nanotechnology
2012
16
34
Orientation dynamics of asymmetric rotors using random phase wave functions
Physical Review A
2015
14
35
Fluorination Effects on the Structural Stability and Electronic Properties of sp
3
-type Silicon Nanotubes
Journal of Physical Chemistry C
2013
13
36
Structural stability and electronic properties of sp3 type silicon nanotubes
Journal of Chemical Physics
2012
12
37
Real-space method for highly parallelizable electronic transport calculations
Physical Review B
2014
10
38
Fabrication and characterization of “on-edge” molecular junctions for molecular electronics
Applied Physics Letters
2007
8
39
Effects of Partial Hydrogenation on the Structure and Electronic Properties of Boron Nitride Nanotubes
Journal of Physical Chemistry C
2013
4
40
The stabilization of a single domain in free-standing ferroelectric nanocrystals
Journal of Physics Condensed Matter
2014
4
41
Raman Binary Mapping of Iron Age Ostracon in an Unknown Material Composition and High‐Fluorescence Setting—A Proof of Concept
Archaeometry
2019
3
42
Elucidating the Contributions of Plasmon-Induced Excitons and Hot Carriers to the Photocurrent of Molecular Junctions
Journal of Physical Chemistry C
2020
3
43
Molecular ensemble junctions with inter-molecular quantum interference
Nature Communications
2022
3
44
Two-dimensional Terahertz Photon Echo and Rotational Spectroscopy in the Gas Phase
Nature Communications
2016
2
45
Geometric versus topological clustering: An insight into conformation mapping
Nature Communications
1997
1
46
Fano interference in nanoscale bismuth constrictions
Physical Review B
2021
1
47
Rücktitelbild: Enzymatically Incorporated Genomic Tags for Optical Mapping of DNA-Binding Proteins (Angew. Chem. 15/2012)
Angewandte Chemie
2012
0
48
Back Cover: Enzymatically Incorporated Genomic Tags for Optical Mapping of DNA-Binding Proteins (Angew. Chem. Int. Ed. 15/2012)
Angewandte Chemie - International Edition
2012
0
49
Towards graphene based ultrasensitive chemical detectors: Lithium anchoring of organic molecules on the surface of graphene
Angewandte Chemie - International Edition
2013
0
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