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

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

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

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

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