Calculated tautomeric equilibria and X-ray structures of 2-substituted N-methoxy-9-methyl-9H-purin-6-aminesGundersen, Lise-Lotte; Görbitz, Carl Henrik; Neier, Liina; Roggen, Heidi; Tamm, ToomasTheoretical chemistry accounts2011 / p. 349-359

Calculation of hydration enthalpies of aqueous transition metal cations using two coordination shells and central ion substitutionUudsemaa, Merle; Tamm, ToomasChemical physics letters2004 / 1/3, lk. 54-58 : ill https://www.sciencedirect.com/science/article/abs/pii/S0009261404016781

Controlling chirogenic effects in porphyrin based supramolecular systems: theoretical analysis versus experimental observationsOsadchuk, Irina; Luts, Hanna-Eliisa; Zahharova, Aleksandra; Tamm, Toomas; Borovkov, VictorChemPhysChem2024 / art. e202400104 https://doi.org/10.1002/cphc.202400104 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

A DFT study of an organocatalytic enantioselective Mannich reaction under the sway of noncovalent interactionsMetsala, Andrus; Kriis, Kadri; Kanger, TõnisJournal of computational chemistry2025 / art. e70159 https://doi.org/10.1002/jcc.70159 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

DFT study of the cesium cation containing complexes relevant to the cesium cation binding by the humic acids = DFT arvutus Cs katiooni interaktsioonidest humiinühenditega orgaaniliste mudelühendite baasilTamp, Sven2007 https://www.ester.ee/record=b2269605*est

Efficient defect-driven cation exchange beyond the nanoscale semiconductors toward antibacterial functionalizationPolivtseva, Svetlana; Volobujeva, Olga; Kuznietsov, Ivan; Kaupmees, Reelika; Danilson, Mati; Krustok, Jüri; Molaiyan, Palanivel; Hu, Tao; Lassi, Ulla; Klopov, Mihhail; van Gog, Heleen; van Huis, Marijn A.; Kaur, Harleen; Ivask, Angela; Rosenberg, Merilin; Gathergood, Nicholas; Ni, Chaoying; Grossberg-Kuusk, MaarjaACS applied materials & interfaces2024 / p. 62871-62882 https://doi.org/10.1021/acsami.4c11425 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

Inclusion of additional coordination sphere into cluster-model redox potential calculationsUudsemaa, Merle; Tamm, ToomasAIP conference proceedings2007 / 2, p. 495-499 https://ui.adsabs.harvard.edu/abs/2007AIPC..963..495U/abstract

Investigation of the solar cell materials Cu(In,Ga)Se2 and Cu2ZnSnS4 with muon spin spectroscopy and density-functional calculationsVilao, Rui C.; Marinopoulos, Apostolos G.; dos Santos, Diego Garcia; Alberto, Helena Vieira; Gil, Joao Campos; Mengyan, Patrick W.; Kauk-Kuusik, Marit; Lord, James; Weidinger, AloisJournal of applied physics2024 / art. 055704 https://doi.org/10.1063/5.0205837 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

Isomers and conformers of complexes of Ti(OiPr)4 with cuclopentane-1,2-dione : NMR study and DFT calculationsOsadchuk, Irina; Pehk, Tõnis; Paju, Anne; Lopp, Margus; Öeren, Mario; Tamm, ToomasInternational journal of quantum chemistry2014 / p. 1012-1018 : ill https://doi.org/10.1002/qua.24619 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

Redox potentials from DFT calculationsUudsemaa, Merle; Tamm, ToomasXIIth International Congress of Quantum Chemistry : May 21-26, 2006, Kyoto, Japan : program and abstract2006 / p. B075

Shortfall of B3LYP in reproducing NMR JCH couplings in some isomeric epoxy structures with strong stereoelectronic effects : a benchmark study on DFT functionalsAdamson, Jasper; Nazarski, Ryszard B.; Jarvet, Jüri; Pehk, Tõnis; Aav, RiinaChemPhysChem2018 / p. 631-642 : ill https://doi.org/10.1002/cphc.201701125 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

Solution-mediated inversion of SnSe to Sb2Se3 thin-filmsPolivtseva, Svetlana; Kois, Julia; Kruzhilina, Tatiana; Kaupmees, Reelika; Klopov, Mihhail; Molaiyan, Palanivel; van Gog, Heleen; van Huis, Marijn A.; Volobujeva, OlgaNanomaterials2022 / art. 2898 https://doi.org/10.3390/nano12172898 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

Supramolecular chirogenesis in a sterically hindered Porphyrin : a critical theoretical analysisOsadchuk, Irina; Luts, Hanna-Eliisa; Norvaiša, Karolis; Borovkov, Victor; Senge, Mathias O.Chemistry : a European journal2023 / art. e202301408 https://doi.org/10.1002/chem.202301408

Supramolecular chirogenesis in a sterically hindered porphyrin: a critical theoretical analysisOsadchuk, Irina; Luts, Hanna-Eliisa; Norvaiša, Karolis; Borovkov, Victor; Senge, Mathias O.Chemistry : a European journal2023 / art. e202302275 https://doi.org/10.1002/chem.202302275 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

Synthesis, EPR and DFT calculations of rare Ag(II)porphyrins and the crystal structure of [Zn(II)tetrakis(4-bromo-2-thiophene)porphyrin]Ghazzali, Mohamed; Abu-Youssef, Morsy; Larsson, Krister; Hansson, Örjan; Amer, Adel; Tamm, Toomas; Öhström, LarsInorganic chemistry communications2008 / 9, p. 1019-1022 : ill https://www.sciencedirect.com/science/article/pii/S1387700308002281

2-Substituted agelasine analogs : Synthesis and biological activity, and structure and reactivity of synthetic intermediatesRoggen, Heidi; Bohlin, Lars; Burman, Robert; Charnock, Colin; Felth, Jenny; Görbitz, Carl Henrik; Larsson, Rolf; Tamm, Toomas; Gundersen, Lise-LottePure and applied chemistry2011 / p. 645-653