A total conformational analysis of diastereomeric esters and calculation of their conformational shielding modelsTamp, Sven; Danilas, Kady; Kreen, Malle; Vares, Lauri; Kiirend, Ene; Vija, Sirje; Pehk, Tõnis; Parve, Omar; Metsala, AndrusJournal of molecular structure : THEOCHEM2008 / 1/3, p. 84-91 : ill https://www.researchgate.net/publication/244272489_A_total_conformational_analysis_of_diastereomeric_esters_and_calculation_of_their_conformational_shielding_models

An assessment of alternative low level calculation methods for the initial selection of conformers of diastereomeric estersMetsala, Andrus; Tamp, Sven; Danilas, Kady; Lille, Ülo; Villo, Ly; Vija, Sirje; Pehk, Tõnis; Parve, OmarJournal of theoretical chemistry2014 / p. 1-10 : ill

Conformity analysis with structured query languageLiiv, Innar; Kuusik, Rein, inform.; Võhandu, Leo6th WSEAS International Conference on Artificial Intelligence, Knowledge Engineering and Data Bases : Corfu Island, Greece, February 16-19, 20072007 / p. 187-189 https://www.academia.edu/3807457/Conformity_analysis_with_structured_query_language

Improved efficiency of focal point conformational analysis with truncated correlation consistent basis setsKahn, Kalju; Kahn, IirisJournal of computational chemistry2008 / 6, p. 900-911 https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.20848

Quantum chemical evaluation of the yield of hydroxybenzophenones in the Fries rearrangement of hydroxyphenyl benzoatesMetsala, Andrus; Usin, Eve; Vallikivi, Imre; Villo, Ly; Pehk, Tõnis; Parve, OmarJournal of molecular structure : THEOCHEM2004 / p. 215-221 : ill https://www.sciencedirect.com/science/article/pii/S016612800400750X

Reaction path scans : Aza-Michael reactions of isatin iminesMetsala, Andrus; Žari, Sergei; Kanger, TõnisComputational and theoretical chemistry2017 / p. 30-40 : ill https://doi.org/10.1016/j.comptc.2017.07.014 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

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

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