(α-NaYbF4:Tm3+)/CaF2 Core/Shell Nanoparticles with Efficient Near-Infrared to Near-Infrared Upconversion for High-Contrast Deep Tissue Bioimaging G Chen, J Shen, TY Ohulchanskyy, NJ Patel, A Kutikov, Z Li, J Song, ... ACS nano 6 (9), 8280-8287, 2012 | 732 | 2012 |
1 Computational details NA Murugan, J Kongsted, Z Rinkevicius, H Ågren | | |
1, 2-Dichloroethane in haloalkane dehalogenase protein and in water solvent: A case study of the confinement effect on structural and dynamical properties NA Murugan, H Ågren The Journal of Physical Chemistry B 113 (11), 3257-3263, 2009 | 10 | 2009 |
2-Diphenylaminothiophene as the donor of porphyrin sensitizers for dye-sensitized solar cells Y Wang, L Xu, X Wei, X Li, H Ågren, W Wu, Y Xie New Journal of Chemistry 38 (7), 3227-3235, 2014 | 49 | 2014 |
2.10 Homogeneous and Heterogeneous Solvent Models for Nonlinear Optical Properties H Ågren, KV Mikkelsen Continuum Solvation Models in Chemical Physics: From Theory to Applications, 282, 2008 | 1 | 2008 |
2D organometallic polymers based on tetraoxa [8] circulene and s-metal atoms LV Begunovich, AV Kuklin, GV Baryshnikov, RR Valiev, H Ågren | 1 | 2021 |
A b initio studies of the photodissociation in the first excited states of à 1A1 and ã 3A1 of PH3 J Müller, H Ågren, S Canuto The Journal of Chemical Physics 76 (10), 5060-5068, 1982 | 23 | 1982 |
A basis set investigation for the oxygen 1s ionization potential in H2O H Ågren, S Svensson, UI Wahlgren International Journal of Quantum Chemistry 11 (2), 317-324, 1977 | 9 | 1977 |
A bimodal type of AgPd Plasmonic Blackbody Nanozyme with boosted catalytic efficacy and synergized photothermal therapy for efficacious tumor treatment in the second biological … T Jia, D Li, J Du, X Fang, V Gerasimov, H Ågren, G Chen Journal of Nanobiotechnology 20 (1), 424, 2022 | 7 | 2022 |
A Blyholder mechanism in the chemisorption of N2O on Ni (111)–studied with Auger-photoelectron coincidence spectroscopy FOL Johansson, LM Cornetta, E Berggren, A Kuklin, YC Weng, S Sinha, ... Applied Surface Science 666, 160340, 2024 | | 2024 |
A Class of Heptaphyrins with NIR Absorption Modulated by Metal Coordination and Nucleophilic Substitution Y Huang, B Zhu, Q Li, G Baryshnikov, C Li, F Sha, XY Wu, H Ågren, Y Xie Chemistry–An Asian Journal, e202400575, 0 | | |
A comparison of density-functional-theory and coupled-cluster frequency-dependent polarizabilities and hyperpolarizabilities P Sałek¶, T Helgaker*, O Vahtras, H Ågren, D Jonsson⊥, J Gauss Molecular Physics 103 (2-3), 439-450, 2005 | 97 | 2005 |
A computational study of aromaticity and photophysical properties of unsymmetrical azatrioxa [8] circulenes RR Valiev, BF Minaev, H Ågren, GV Baryshnikov | | 2017 |
A computational study of aromaticity and photophysical properties of unsymmetrical azatrioxa [8] circulenes GV Baryshnikov, RR Valiev, BF Minaev, H Ågren New Journal of Chemistry 41 (7), 2717-2723, 2017 | 19 | 2017 |
A computational study of some electric and magnetic properties of gaseous BF3 and BCl3 (vol 123, artn no 114307, 2005) A Rizzo, C Cappelli, B Jansik, D Jonsson, P Salek, S Coriani, H Ågren, ... Journal of Chemical Physics 129 (3), 2008 | | 2008 |
A computational study of structural and magnetic properties of bi-and trinuclear Cu (II) complexes with extremely long Cu---Cu distances GV Baryshnikov, BF Minaev, AT Baryshnikova, H Ågren Chemical Physics 491, 48-55, 2017 | 14 | 2017 |
A computational study of the adsorption and reactive dynamics of diglycine on Cu (110) S Monti, V Carravetta, C Li, H Ågren The Journal of Physical Chemistry C 118 (7), 3610-3619, 2014 | 12 | 2014 |
A Configuration Interaction Study of the (O2) 2 Dimer BF Minaev, VD Nikolaev, H Ågren Spectroscopy letters 29 (4), 677-695, 1996 | 23 | 1996 |
A core–multiple shell nanostructure enabling concurrent upconversion and quantum cutting for photon management W Shao, G Chen, TY Ohulchanskyy, C Yang, H Ågren, PN Prasad Nanoscale 9 (5), 1934-1941, 2017 | 29 | 2017 |
A coupled-cluster study of lanthanum trihalide structures B Jansik, AMJS de Meras, B Schimmelpfennig, H Ågren Journal of the Chemical Society, Dalton Transactions, 4603-4606, 2002 | 9 | 2002 |