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

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 thePT-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 forαandmeRotational spectrum of the molecular ion NH+as a probe forαandme	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	αvariation on a prospective experiment to detect variation ofme/mpin diatomic molecules">Effect ofαvariation on a prospective experiment to detect variation ofme/mpin 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	αvariation on the vibrational spectrum of Sr2">Effect ofαvariation on the vibrational spectrum of Sr2	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

Profile

Scientometrics

Citing Bodies

Centre for Theoretical Chemistry and Physics

Top Articles