Publications

Since 2004 we have published more than 1000 papers

You can find all our papers with abstracts in the DIVA database.

[1]
T. Fahleson et al., "A QM/MM and QM/QM/MM study of Kerr, Cotton-Mouton and Jones linear birefringences in liquid acetonitrile," Physical Chemistry, Chemical Physics - PCCP, vol. 20, no. 5, pp. 3831-3840, 2018.
[2]
X. Zhu et al., "A supramolecular peptide polymer from hydrogen-bond and coordination-driven self-assembly," Polymer Chemistry, vol. 9, no. 1, pp. 69-76, 2018.
[3]
D. Madsen, O. Christiansen and C. König, "Anharmonic vibrational spectra from double incremental potential energy and dipole surfaces," Physical Chemistry, Chemical Physics - PCCP, vol. 20, no. 5, pp. 3445-3456, 2018.
[4]
M. Hussain et al., "ATAD2 in cancer : a pharmacologically challenging but tractable target," Expert opinion on therapeutic targets, vol. 22, no. 1, pp. 85-96, 2018.
[5]
C. König et al., "Binding sites for luminescent amyloid biomarkers from non-biased molecular dynamics simulations," Chemical Communications, vol. 54, no. 24, pp. 3030-3033, 2018.
[6]
N. Orms et al., "Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis : A Uniform Approach," Journal of Chemical Theory and Computation, vol. 14, no. 2, pp. 638-648, 2018.
[7]
G. Grybauskaite-Kaminskiene et al., "Contribution of TADF and exciplex emission for efficient "warm-white" OLEDs," Journal of Materials Chemistry C, vol. 6, no. 6, pp. 1543-1550, 2018.
[8]
T. Fahleson, "Derivation and application of response functions for nonlinear absorption and dichroisms," Doctoral thesis Stockholm : KTH Royal Institute of Technology, TRITA-BIO-Report, 2018:01, 2018.
[9]
S. S. Pershoguba et al., "Dirac Magnons in Honeycomb Ferromagnets," Physical Review X, vol. 8, no. 1, 2018.
[10]
Z. Qian et al., "Divalent Pseudorotaxane with Polarized Plug-Socket and Padlock Functions," Organic Letters, vol. 20, no. 6, pp. 1487-1490, 2018.
[12]
T. Chen et al., "From planes to bowls : Photodissociation of the bisanthenequinone cation," Chemical Physics Letters, vol. 692, pp. 298-303, 2018.
[13]
V. Poongavanam et al., "Integrative approaches in HIV-1 non-nucleoside reverse transcriptase inhibitor design," Wiley Interdisciplinary Reviews. Computational Molecular Science, vol. 8, no. 1, 2018.
[14]
J. Wang et al., "Modulating a D-Π-A type diarylethene for on-demand Cu2+ check via photo-switchable detection range and sensitivity," Sensors and actuators. B, Chemical, vol. 257, pp. 77-86, 2018.
[15]
P. Zhao et al., "One-step solvothermal synthesis of high-emissive amphiphilic carbon dots via rigidity derivation," Chemical Science, vol. 9, no. 5, pp. 1323-1329, 2018.
[16]
G. V. Baryshnikov et al., "Optical tuning of tetrabenzo[8]circulene derivatives through pseudorotational conformational isomerization," Dyes and pigments, vol. 151, pp. 372-379, 2018.
[17]
H. Liu et al., "Photon Upconversion Kinetic Nanosystems and Their Optical Response," Laser & Photonics reviews, vol. 12, no. 1, 2018.
[18]
Y.-P. Sun et al., "Suppression of resonant auger effect with chirped x-ray free-electron laser pulse," Journal of Physics B : Atomic, Molecular and Optical Physics, vol. 51, no. 3, 2018.
[19]
G. V. Baryshnikov et al., "The Electronic Structure and Spectra of Triphenylamines Functionalized by Phenylethynyl Groups," Optics and Spectroscopy, vol. 124, no. 1, pp. 57-64, 2018.
[20]
L. Liang and X. Li, "Theoretical insights into aggregation-induced helicity modulation of a perylene bisimide derivative," Journal of Molecular Modeling, vol. 24, no. 3, 2018.
[21]
Y. Ma et al., "Theoretical N K-edge NEXAFS spectroscopy study for configuration of a dipolar molecule on graphene," Materials Chemistry and Physics, vol. 207, pp. 309-314, 2018.
[22]
L. Zhang et al., "Ultradeep Removal of Moisture in Gases to Parts-per-Billion Levels : The Exploration of Adsorbents," The Journal of Physical Chemistry C, vol. 122, no. 5, pp. 2840-2847, 2018.
[24]
G. V. Baryshnikov et al., "A computational study of aromaticity and photophysical properties of unsymmetrical azatrioxa[8]circulenes," New Journal of Chemistry, vol. 41, no. 7, pp. 2717-2723, 2017.
[27]
S. Chen, X. Li and L. Song, "A fluorescent photochromic diarylethene based on naphthalic anhydride with strong solvatochromism," RSC Advances, vol. 7, no. 47, pp. 29854-29859, 2017.
[29]
S. Luo et al., "A Probe for the Detection of Hypoxic Cancer Cells," ACS SENSORS, vol. 2, no. 8, pp. 1139-1145, 2017.
[30]
[31]
N. Holmgaard List et al., "A quantum-mechanical perspective on linear response theory within polarizable embedding," Journal of Chemical Physics, vol. 146, no. 23, 2017.
[32]
V. Vaz da Cruz et al., "A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering," Physical Chemistry, Chemical Physics - PCCP, vol. 19, no. 30, pp. 19573-19589, 2017.
[33]
A. O. Osikoya et al., "Acetylene-sourced CVD-synthesised catalytically active graphene for electrochemical biosensing," Biosensors and Bioelectronics, vol. 89, pp. 496-504, 2017.
[35]
P. Farahani et al., "Advances in computationalphotochemistry and chemiluminescenceof biological and nanotechnologicalmolecules," in Photochemistry, Elisa Fasani and Angelo Albini Ed., 44th ed. : Royal Society of Chemistry, 2017, pp. 16-60.
[36]
S. Chen et al., "Aggregation-controlled photochromism based on a dithienylethene derivative with aggregation-induced emission," Journal of Materials Chemistry C, vol. 5, no. 10, pp. 2717-2722, 2017.
[37]
L. Bu et al., "An AIE and ICT based NIR florescent probe for cysteine and homocysteine," Dyes and pigments, vol. 136, pp. 724-731, 2017.
[38]
L. Shi et al., "An arylboronate locked fluorescent probe for hypochlorite," The Analyst, vol. 142, no. 12, pp. 2104-2108, 2017.
[39]
S. Witzke et al., "An Averaged Polarizable Potential for Multiscale Modeling in Phospholipid Membranes," Journal of Computational Chemistry, vol. 38, no. 9, pp. 601-611, 2017.
[40]
M. S. Nørby et al., "Assessing frequency-dependent site polarisabilities in linear response polarisable embedding," Molecular Physics, vol. 115, pp. 39-47, 2017.
[42]
K. Rajasekhar et al., "Aβ plaque-selective NIR fluorescence probe to differentiate Alzheimer's disease from tauopathies," Biosensors & bioelectronics, vol. 98, pp. 54-61, 2017.
[43]
[45]
V. A. Minaeva, B. F. Minaev and G. V. Baryshnikov, "Calculation of the optical spectra of the copper(I) complex with triphenylphosphine, iodine, and 3-pyridine-2-yl-5-phenyl-1H-1,2,4-triazole by the DFT method," Optics and Spectroscopy, vol. 122, no. 2, pp. 175-183, 2017.
[46]
S. Zhan et al., "Capturing the Role of Explicit Solvent in the Dimerization of Ru-V(bda) Water Oxidation Catalysts," Angewandte Chemie International Edition, vol. 56, no. 24, pp. 6962-6965, 2017.
[47]
S. Monti et al., "Characterization of the adsorption dynamics of trisodium citrate on gold in water solution," RSC Advances, vol. 7, no. 78, pp. 49655-49663, 2017.
[50]
V. A. Minaeva et al., "Comparative study of the structural and spectral properties of tetraaza- and tetraoxaannelated tetracirculenes," Optics and Spectroscopy, vol. 122, no. 4, pp. 523-540, 2017.
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