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The 50 latest publications

[2]
A. Y. Mehandzhiyski et al., "A novel supra coarse-grained model for cellulose," Cellulose (London), vol. 27, no. 8, pp. 4221-4234, 2020.
[4]
K. Rajasekhar et al., "Antioxidant Berberine-Derivative Inhibits Multifaceted Amyloid Toxicity," iScience, vol. 23, no. 4, 2020.
[5]
X. Zhao et al., "BCN-Encapsulated Nano-nickel Synergistically Promotes Ambient Electrochemical Dinitrogen Reduction," ACS Applied Materials and Interfaces, vol. 12, no. 28, pp. 31419-31430, 2020.
[6]
A. Petrenko et al., "Benzoselenophenylpyridine platinum complexes : green versus red phosphorescence towards hybrid OLEDs," Dalton Transactions, vol. 49, no. 11, pp. 3393-3397, 2020.
[7]
L. Zhu et al., "Binding modes of cabazitaxel with the different human beta-tubulin isotypes : DFT and MD studies," Journal of Molecular Modeling, vol. 26, no. 6, 2020.
[9]
Q. Wang et al., "Color-tunable single-fluorophore supramolecular system with assembly-encoded emission," Nature Communications, vol. 11, no. 1, 2020.
[10]
B. Lousen et al., "Compressing a Non-Planar Aromatic Heterocyclic [7]Helicene to a Planar Hetero[8]Circulene," Chemistry - A European Journal, vol. 26, no. 22, pp. 4935-4940, 2020.
[11]
R. Zalesny et al., "Computational design of two-photon active organic molecules for infrared responsive materials," Journal of Materials Chemistry C, vol. 8, no. 29, pp. 9867-9873, 2020.
[12]
Y. Chen et al., "Computational Insight into the Allosteric Activation Mechanism of Farnesoid X Receptor," Journal of Chemical Information and Modeling, vol. 60, no. 3, pp. 1540-1550, 2020.
[13]
Y. Chen et al., "Computational Insight into the Allosteric Activation Mechanism ofFarnesoid X Receptor," Journal of Chemical Information and Modeling, vol. 60, pp. 1540-1550, 2020.
[14]
G. Kuang et al., "Computational Insight into the Binding Profile of the Second-Generation PET Tracer PI2620 with Tau Fibrils," ACS Chemical Neuroscience, vol. 11, no. 6, pp. 900-908, 2020.
[15]
S. Masys, Z. Rinkevicius and J. Tamuliene, "Computational study on the electronic g-tensors of hydrophilic and hydrophobic nanodiamonds interacting with water," Journal of Chemical Physics, vol. 152, no. 14, 2020.
[16]
V. Ekholm et al., "Core-hole localization and ultra-fast dissociation in SF6," Journal of Physics B : Atomic, Molecular and Optical Physics, vol. 53, no. 18, 2020.
[17]
M. Paloncyova et al., "Cyanine dyes with tail length asymmetry enhance photoselection : A multiscale study on DiD probes in a liquid disordered membrane," Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy, vol. 224, 2020.
[18]
J. M. H. Olsen et al., "Dalton Project : A Python platform for molecular- and electronic-structure simulations of complex systems," Journal of Chemical Physics, vol. 152, no. 21, 2020.
[20]
S. Duan et al., "Effects of Plasmon Modes on Resonant Raman Images of a Single Molecule," Journal of Physical Chemistry Letters, vol. 11, no. 2, pp. 407-411, 2020.
[21]
A. D. Utyushev et al., "Engineering novel tunable optical high-Q nanoparticle array filters for a wide range of wavelengths," Optics Express, vol. 28, no. 2, pp. 1426-1438, 2020.
[22]
X. Chen et al., "Engineering stable radicals using photochromic triggers," Nature Communications, vol. 11, no. 1, 2020.
[23]
L. Labrador Paez et al., "Eu 3+luminescent ions detect water density anomaly," Journal of Luminescence, vol. 223, 2020.
[26]
Y. Ji, T. Fan and Y. Luo, "First-principles study on the mechanism of photocatalytic reduction of nitrobenzene on the rutile TiO2(110) surface," Physical Chemistry, Chemical Physics - PCCP, vol. 22, no. 3, pp. 1187-1193, 2020.
[30]
R. Zou et al., "Free Energy Profile and Kinetics of Coupled Folding and Binding of the Intrinsically Disordered Protein p53 with MDM2," Journal of Chemical Information and Modeling, vol. 60, no. 3, pp. 1551-1558, 2020.
[31]
[32]
S. Duan et al., "Identification of Water Hexamer on Cu(111) Surfaces," Journal of the American Chemical Society, vol. 142, no. 15, pp. 6902-6906, 2020.
[33]
S. Banerjee et al., "Interacting Dirac materials," Journal of Physics : Condensed Matter, vol. 32, no. 40, 2020.
[36]
Y. Zhang et al., "Mechanism Study of Molecular Deformation of 2,2 ',5 ',2 ''-Tetramethylated p-Terphenyl-4,4 ''-dithiol Trapped in Gold Junctions," Journal of Physical Chemistry Letters, vol. 11, no. 11, pp. 4456-4461, 2020.
[38]
C. Gustafsson, "Modeling environment effects on spectroscopic properties of biomarkers and catalytic mechanisms in enzymes," Doctoral thesis Stockholm : KTH Royal Institute of Technology, TRITA-CBH-FOU, 2020:6, 2020.
[39]
Y. Zhou, "Modeling Kinetics of Protein-Ligand Systems," Doctoral thesis : KTH Royal Institute of Technology, TRITA-CBH-FOU, 2020:25, 2020.
[41]
D. Yao et al., "Molecular Engineered Squaraine Nanoprobe for NIR-II/Photoacoustic Imaging and Photothermal Therapy of Metastatic Breast Cancer," ACS Applied Materials and Interfaces, vol. 12, no. 4, pp. 4276-4284, 2020.
[42]
H. Wu et al., "Molecular phosphorescence in polymer matrix with reversible sensitivity," ACS Applied Materials and Interfaces, vol. 12, no. 18, pp. 20765-20774, 2020.
[43]
G. Su et al., "N-Confused Phlorin-Prodigiosin Chimera : meso-Aryl Oxidation and π-Extension Triggered by Peripheral Coordination," Angewandte Chemie International Edition, vol. 59, no. 4, pp. 1537-1541, 2020.
[44]
Q. Li et al., "On carbon nanotubes in the interstellar medium," Monthly notices of the Royal Astronomical Society, vol. 493, no. 2, pp. 3054-3059, 2020.
[45]
L. Labrador-Páez et al., "pH dependence of water anomaly temperature investigated by Eu(III) cryptate luminescence," Analytical and Bioanalytical Chemistry, vol. 412, no. 1, pp. 73-80, 2020.
[46]
M. Paloncyova et al., "Photoisomerization of DiD : Molecular Dynamics Calculations Reveal the Influence of Tail Lengths," The Journal of Physical Chemistry C, vol. 124, no. 10, pp. 5829-5837, 2020.
[47]
V. I. Zakomirnyi et al., "Plasmonic nano-shells : atomistic discrete interactionversusclassic electrodynamics models," Physical Chemistry, Chemical Physics - PCCP, vol. 22, no. 24, pp. 13467-13473, 2020.
[48]
[49]
N. H. List et al., "Probing competing relaxation pathways in malonaldehyde with transient X-ray absorption spectroscopy," Chemical Science, vol. 11, no. 16, pp. 4180-4193, 2020.
[50]
S. Knippenberg and S. Osella, "Push/Pull Effect as Driving Force for Different Optical Responses of Azobenzene in a Biological Environment," The Journal of Physical Chemistry C, vol. 124, no. 15, pp. 8310-8322, 2020.
Page responsible:Mårten Ahlquist
Belongs to: Department of Theoretical Chemistry and Biology
Last changed: May 13, 2020