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

An NMR and MD modeling insight into nucleation of 1,2-alkanediols : selective crystallization of lipase-catalytically resolved enantiomers from the reaction mixturesParve, Omar; Reile, Indrek; Parve, Jaan; Kasvandik, Sergo; Kudrjašova, Marina; Tamp, Sven; Metsala, Andrus; Villo, Ly; Pehk, Tõnis; Jarvet, Jüri; Vares, LauriJournal of organic chemistry2013 / p. 12795-12801 : ill

Assignment of configuration of chiral cyclic compounds by modelled spin-spin couplings and vibrational circular dichroism spectraAav, Riina; Suun, Silver; Tamp, Sven; Ausmees, Kerti; Kriis, Kadri; Metsala, Andrus; Peterson, Anna; Öeren, Mario2nd Polish-Taiwanese Conference : From Molecular Modeling to Nano- and  Biotechnology : 26-28 August 2015, Opole, Poland2015 / [1] p. : ill

Asymmetric organocatalytic aza-Michael reactions of isatin derivativesŽari, Sergei; Metsala, Andrus; Kudrjašova, Marina; Kaabel, Sandra; Järving, Ivar; Kanger, TõnisSynthesis2015 / p. 875-886 : ill

Aza-Michael reactions of isatin imines : deeper insight and origin of the stereoselectivityMetsala, Andrus; Žari, Sergei; Kanger, TõnisChemCatChem2016 / p. 2961-2967  : ill http://dx.doi.org/10.1002/cctc.201600584

Aza-Michael reactions of isatin imines : role of S-π interactionsMetsala, Andrus; Žari, Sergei; Lopp, Margus; Kanger, TõnisBalticum Organicum Syntheticum : 3-6 July 2016, Riga, Latvia : program and abstracts2016 / p. 116 : ill http://www.boschem.eu/public/BOS2016/BOS-2016_Anstract-Book_Final.pdf

Chemical versus enzymatic acetylation of [alfa]-bromo-[oomega]-hydroxyaldehydes : decyclization of hemiacetals by lipaseVillo, Ly; Metsala, Andrus; Parve, Omar; Pehk, TõnisTetrahedron letters2002 / p. 3203-3207

A chemoenzymatic synthesis of a deoxy sugar ester of N-Boc-protected L-tyrosineVillo, Ly; Kreen, Malle; Kudrjašova, Marina; Metsala, Andrus; Tamp, Sven; Lille, Ülo; Pehk, Tõnis; Parve, OmarPractical methods for biocatalysis and biotransformations. 22012 / p. 335-339 https://www.sciencedirect.com/science/article/pii/S1381117710002511

A chemoenzymatic synthesis of deoxy sugar esters involving stereoselective acetylation of hemiacetals catalyzed by CALBVillo, Ly; Kreen, Malle; Metsala, Andrus; Tamp, Sven; Lille, Ülo; Pehk, Tõnis; Parve, Omar; Kudrjašova, MarinaJournal of molecular catalysis B : enzymatic2011 / p. 44-51 https://www.sciencedirect.com/science/article/abs/pii/S1381117710002511

Comparison of photoelectron-spectroscopy results to ab-initio and density functional calculations : the ethylbenzene cationLehrer, F.; Weinkauf, R.; Metsala, AndrusZeitschrift für physicalische Chemie2007 / 5, p. 723-749 https://www.degruyter.com/document/doi/10.1524/zpch.2007.221.5.723/html

Enantioselective Henry reaction catalyzed by CuII salt and bipiperidineNoole, Artur; Lippur, Kristin; Metsala, Andrus; Lopp, Margus; Kanger, TõnisThe journal of organic chemistry2010 / p. 1313-1316

Enantioselective Michael addition to vinyl phosphonates via hydrogen bond-enhanced halogen bond catalysisKaasik, Mikk; Martõnova, Jevgenia; Erkman, Kristin; Metsala, Andrus; Järving, Ivar; Kanger, TõnisChemical science2021 / p. 7561-7568 https://doi.org/10.1039/D1SC01029H Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

Enantioselective N-Alkylation of Nitroindoles under Phase-Transfer CatalysisTrubitsõn, Dmitri; Martõnova, Jevgenia; Erkman, Kristin; Metsala, Andrus; Saame, Jaan; Köster, Kristjan; Järving, Ivar; Leito, Ivo; Kanger, TõnisSynthesis2020 / p. 1047-1059 https://doi.org/10.1055/s-0039-1690751 Journal metrics at Scopus Article at WOS Journal metrics at WOS Article at WOS

Estrite lipaaskatalüütiline enantioselektiivne hüdrolüüs : kineetiliste mõõtmiste tulemuste interpretatsioonParve, Omar; Metsala, Andrus; Lille, ÜloXXIII Eesti keemiapäevad : teaduskonverentsi ettekannete referaadid1997 / lk. 99

Extending traditional area of lipases' application for prostanoid and hemiacetal chemistryParve, Omar; Metsala, Andrus; Tamp, Sven; Villo, LyBIT's 1st Annual World Congress of Catalytic Asymmetric Synthesis : Beijing, China, 19.-21.05.20102010

Halo-1,2,3-triazolium salts as halogen bond donors for the activation of imines in dihydropyridinone synthesisKaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, TõnisJournal of organic chemistry2019 / p. 4294–4303 : ill https://doi.org/10.1021/acs.joc.9b00248 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

Halogeenside võib võimendada kaugete aatomite interaktsiooneMetsala, Andrus; Kaasik, Mikk; Kanger, Tõnis; Lopp, MargusXXXIV Eesti keemiapäevad : 100. aastapäeva teaduskonverentsi teesid2019 / lk. 28 https://www.ester.ee/record=b5208044*est

Lipase action on some non-triglyceride substratesVallikivi, Imre; Lille, Ülo; Lõokene, Aivar; Metsala, Andrus; Sikk, Peeter; Tõugu, Vello; Vija, Heiki; Villo, Ly; Parve, OmarJournal of molecular catalysis B : enzymatic2003 / 5/6, p. 279-298 : ill

Lipase-catalysed acyl transfer in deoxysugars : a computational studyKaevand, Toomas; Villo, Ly; Metsala, Andrus; Parve, Omar; Lille, ÜloInternational journal of engineering and applied sciences (EAAS)2015 / p. 1-7 : ill

Lipase-catalysed acylation of prostanoidsParve, Omar; Järving, Ivar; Martin, Ivar; Metsala, Andrus; Vallikivi, Imre; Aidnik, Madis; Pehk, Tõnis; Samel, NigulasBioorganic & medicinal chemistry letters1999 / p. 1853-1858: ill

Lipase-catalysed enantioselective hydrolysis : interpretation of the kinetic results in terms of frontier orbital localisationParve, Omar; Vallikivi, Imre; Metsala, Andrus; Lille, Ülo; Tõugu, Vello; Sikk, Peeter; Käämbre, Tuuli; Vija, Heiki; Pehk, TõnisTetrahedron1997 / 13, p. 4889-4900

Lipase-catalysed enantioselective hydrolysis of bicyclo[3.2.0]heptanol esters in supercritical carbon dioxideParve, Omar; Vallikivi, Imre; Lahe, Lilja; Metsala, Andrus; Lille, Ülo; Tõugu, Vello; Vija, Heiki; Pehk, TõnisBioorganic & medicinal chemistry letters1997 / 7, p. 811-816

Lipase-catalysed enantioselective hydrolysis of esters : interpretation of the kinetic resultsParve, Omar; Metsala, Andrus; Lille, Ülo23rd Estonian Chemistry Days : abstracts of scientific conference1997 / p. 109

Lipase-catalysed regioselective acylation/deacylation of prostanoidsVallikivi, Imre; Järving, Ivar; Metsala, Andrus; Pehk, Tõnis; Parve, OmarInternational Conference on Organic Synthesis : Vilnius, 2000, June 26-29 : program and abstracts2000 / p. [82]

"Lipolase" allub sekundaarsete alkoholide enantioeelistuse üldisele reeglile nii vesi kui ka superkriitilise SKCO2 keskkonnas = "Lipolase" obeys the general enantiopreference rule of secondary alcohols in water and supercritical (SC)CO2 media as wellLille, Ülo; Metsala, Andrus; Parve, Omar; Tõugu, Vello; Vija, HeikiXVII Eesti keemiapäevad : teaduskonverentsi ettekannete referaadid = 17th Estonian Chemistry Days : abstracts of scientific conference1996 / lk. 101-102

Local ionization in 2-phenylethyl-N,N-dimethylamine : charge transfer and dissociation directly after ionizationWeinkauf, R.; Lehr, L.; Metsala, AndrusJournal of physical chemistry A2003 / p. 2787-2799

Microcanonical rate constant in case of intramolecular large amplitude vibrationsMetsala, Andrus23rd Estonian Chemistry Days : abstracts of scientific conference1997 / p. 92

Mikrokanooniline kiiruskonstant suureamplituudiliste molekulisiseste võnkumiste korralMetsala, AndrusXXIII Eesti keemiapäevad : teaduskonverentsi ettekannete referaadid1997 / lk. 83

Mittestatistilisus vinüülbromiidi molekulisMetsala, AndrusXXVIII Eesti keemiapäevad : teaduskonverentsi ettekannete teesid = 28th Estonian Chemistry Days : abstracts of scientific conference2002 / lk. 86

Prootoni transport peptiididesMetsala, Andrus; Schlag, E.W.XXIX Eesti keemiapäevad : teaduskonverentsi ettekannete teesid = 29th Estonian Chemistry Days : abstracts of scientific conference2005 / lk. 64-65

Quantum chemical calculation procedure for the c-c bond forming reactionsMetsala, Andrus; Kaasik, Mikk; Kriis, Kadri; Kanger, Tõnis; Kimm, MariliisBalticum Organicum Syntheticum (BOS 2022) : program and abstract book2022 / p. 127 Kogumik

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

Synthesis of 3,4-dideoxy ribose esters: a novel chemoenzymatic approach to synthesis of activated, extended-chain glycoconjugatesVillo, Ly; Danilas, Kady; Metsala, Andrus; Pehk, Tõnis; Parve, OmarInternational Conference on Organic Synthesis : Tallinn, Estonia, June 25-29, 2006 : program and abstracts2006 / p. 164

Synthesis of deoxy sugar esters : a chemoenzymatic stereoselective approach affording deoxy sugar derivatives also in the form of aldehydeVillo, Ly; Danilas, Kady; Metsala, Andrus; Kreen, Malle; Vallikivi, Imre; Vija, Sirje; Pehk, Tõnis; Luciano, Saso; Parve, OmarJournal of organic chemistry2007 / p. 5813-5816 https://pubs.acs.org/doi/10.1021/jo062640b

A synthesis of deoxy sugar esters. Stereoselective acetylation of hemiacetals by CALBVillo, Ly; Metsala, Andrus; Tamp, Sven; Pehk, Tõnis; Parve, OmarBiotrans 2011 : Itaalia, Giardini Naxos, 02.-05.10.20112011

Synthesis, characterization and catalytic activity of enantiopure triazole-based halogen bond donorsKaasik, Mikk; Kaabel, Sandra; Metsala, Andrus; Peterson, Anna; Kriis, Kadri; Järving, Ivar; Aav, Riina; Rissanen, Kari; Adamson, Jasper; Kanger, TõnisGSFMT Scientific Conference 2020 : Tallinn, February 4-5, 2020 : abstracts2020 / p. 35 : ill http://fmtdk.ut.ee/wp-content/uploads/2020/01/GSFMT2020.pdf

The dipeptide cyclic(glycyltryptophanyl) in the gas phase : aastal concerted action of density functional calculations, S-O-S-1 two-photon ionization, spectral UV/UV hole burning and laser photoelectron spectroscopyWiedemann, S.; Metsala, Andrus; Nolting, D.Physical chemistry chemical2004 / 10, p. 2641-2649

Thermomyces lanuginosus lipase with closed lid catalyzes elimination of acetic acid from 11-acetyl-prostaglandin E2Villo, Ly; Metsala, Andrus; Tamp, Sven; Parve, Jaan; Vallikivi, Imre; Järving, Ivar; Nigulas, Samel; Lille, Ülo; Pehk, Tõnis; Parve, OmarChemCatChem2014 / p. 1998-2010 : ill

Tunable chiral triazole-based halogen bond donors : assessment of donor strength in solution with nitrogen-containing acceptorsPeterson, Anna; Kaasik, Mikk; Metsala, Andrus; Järving, Ivar; Adamson, Jasper; Kanger, TõnisRSC advances2019 / p. 11718–11721 : ill https://doi.org/10.1039/c9ra01692a Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS

[2,3]-Wittig rearrangement as a formal asymmetric alkylation of α-branched ketonesKimm, Mariliis; Ošeka, Maksim; Kaabel, Sandra; Metsala, Andrus; Järving, Ivar; Kanger, TõnisOrganic letters2019 / p. 4976-4980 https://doi.org/10.1021/acs.orglett.9b01495 Journal metrics at Scopus Article at Scopus Journal metrics at WOS Article at WOS