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Centre for Theoretical Chemistry and Physics
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top-articles
Centre for Theoretical Chemistry and Physics
64
(top 2%)
papers
1.7K
(top 1%)
citations
23
(top 1%)
h
-index
40
(top 1%)
g
-index
71
all documents
1.8K
doc citations
379
citing journals
Top Articles
#
Title
Journal
Year
Citations
1
Measurement of the first ionization potential of lawrencium, element 103
Nature
2015
129
2
Tunable transport with broken space–time symmetries
Physics Reports
2014
124
3
Flatbands under Correlated Perturbations
Physical Review Letters
2014
117
4
Flat band states: Disorder and nonlinearity
Physical Review B
2013
100
5
Localization of weakly disordered flat band states
European Physical Journal B
2017
93
6
On the Calculation of Acyl Chain Order Parameters from Lipid Simulations
Journal of Chemical Theory and Computation
2017
92
7
NECI:
N
-Electron Configuration Interaction with an emphasis on state-of-the-art stochastic methods
Journal of Chemical Physics
2020
55
8
Nonequilibrium Chaos of Disordered Nonlinear Waves
Physical Review Letters
2013
54
9
Actively coupled optical waveguides
Physical Review A
2014
54
10
PT
-symmetric coupler and the actively coupled dimer">Blow-up regimes in the
PT
-symmetric coupler and the actively coupled dimer
Physical Review A
2013
51
11
Flat-band engineering of mobility edges
Physical Review B
2015
48
12
Molecular Dynamics Simulation of Proteins
Methods in Molecular Biology
2020
47
13
Nonlinear lattice waves in heterogeneous media
Journal of Physics A: Mathematical and Theoretical
2014
44
14
A highly accurate potential energy curve for the mercury dimer
Journal of Chemical Physics
2010
43
15
C–Cl Bond Activation on Au/Pd Bimetallic Nanocatalysts Studied by Density Functional Theory and Genetic Algorithm Calculations
Journal of Physical Chemistry C
2014
39
16
Frequency Combs with Weakly Lasing Exciton-Polariton Condensates
Physical Review Letters
2015
34
17
Center-of-mass motion as a sensitive convergence test for variational multimode quantum dynamics
Physical Review A
2016
31
18
A relativistic coupled-cluster interaction potential and rovibrational constants for the xenon dimer
Molecular Physics
2018
31
19
Dynamic and static density-density correlations in the one-dimensional Bose gas: Exact results and approximations
Physical Review A
2009
27
20
Perovskite fluoride crystals as light emitting materials in vacuum ultraviolet region
Optical Materials
2014
27
21
Atomic domain magnetic nanoalloys: interplay between molecular structure and temperature dependent magnetic and dielectric properties in manganese doped tin clusters
Physical Chemistry Chemical Physics
2014
27
22
+
as a probe for
α
and
m
e
Rotational spectrum of the molecular ion NH
+
as a probe for
α
and
m
e
Physical Review A
2011
25
23
Synthesis and Analysis of Substituted Bullvalenes
Angewandte Chemie - International Edition
2018
25
24
Transport of ultracold Bose gases beyond the Gross-Pitaevskii description
Physical Review A
2010
22
25
Stability and dispersion relations of three-dimensional solitary waves in trapped Bose–Einstein condensates
New Journal of Physics
2015
22
26
Resonant extended states in driven quasiperiodic lattices: Aubry-Andre localization by design
Physical Review A
2014
20
27
α
variation on a prospective experiment to detect variation of
m
e
/
m
p
in diatomic molecules">Effect of
α
variation on a prospective experiment to detect variation of
m
e
/
m
p
in diatomic molecules
Physical Review A
2011
19
28
Dark-soliton-like excitations in the Yang–Gaudin gas of attractively interacting fermions
New Journal of Physics
2016
19
29
Quasiperiodic driving of Anderson localized waves in one dimension
Physical Review E
2016
19
30
First-principles calculations of electronic and optical properties of LiCaAlF 6 and LiSrAlF 6 crystals as VUV to UV solid-state laser materials
Optical Materials
2017
19
31
Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part II. Femtosecond spectroscopy and spectra assignments
Physical Chemistry Chemical Physics
2011
18
32
α
variation on the vibrational spectrum of Sr
2
">Effect of
α
variation on the vibrational spectrum of Sr
2
Physical Review A
2011
18
33
A Two-Dimensional Liquid Structure Explains the Elevated Melting Temperatures of Gallium Nanoclusters
Nano Letters
2016
18
34
Oscillons in coupled Bose-Einstein condensates
Physical Review A
2015
17
35
Decay of superfluid currents in the interacting one-dimensional Bose gas
Physical Review A
2009
16
36
Decay modes of two repulsively interacting bosons
Journal of Physics B: Atomic, Molecular and Optical Physics
2011
16
37
Quantum dark solitons in the one-dimensional Bose gas
Physical Review A
2019
16
38
Nonlinear waves of Bose-Einstein condensates in rotating ring-lattice potentials
Physical Review A
2019
16
39
A diffusion model for the coordination of DNA replication in Schizosaccharomyces pombe
Scientific Reports
2016
15
40
s
-wave scattering length of a Gaussian potential">
s
-wave scattering length of a Gaussian potential
Physical Review A
2018
15
41
Numerical simulation of ultraviolet picosecond Ce:LiCAF laser emission by optimized resonator transients
Japanese Journal of Applied Physics
2014
14
42
Homo- and heteronuclear alkali metal trimers formed on helium nanodroplets. Part I. Vibronic spectra simulations based on ab initio calculations
Physical Chemistry Chemical Physics
2011
11
43
Localization of disordered bosons and magnets in random fields
Annals of Physics
2013
11
44
Interaction blockade for bosons in an asymmetric double well
Physical Review A
2017
11
45
Interaction-induced connectivity of disordered two-particle states
Physical Review B
2015
10
46
Quantitative and Chemically Intuitive Evaluation of the Nature of M−L Bonds in Paramagnetic Compounds: Application of EDA‐NOCV Theory to Spin Crossover Complexes
Chemistry - A European Journal
2020
9
47
Nonlinear standing waves in an array of coherently coupled Bose-Einstein condensates
Physical Review A
2018
8
48
Toward Detection of the Molecular Parity Violation in Chiral Ru(acac)
3
and Os(acac)
3
Journal of Physical Chemistry Letters
2022
8
49
Enhancement of chaotic subdiffusion in disordered ladders with synthetic gauge fields
Physical Review E
2014
7
50
Multiscale Modeling and Simulation Approaches to Lipid–Protein Interactions
Methods in Molecular Biology
2019
7
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