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tihedusfunktsionaali teooria (subject term)
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1
journal article
Calculated tautomeric equilibria and X-ray structures of 2-substituted N-methoxy-9-methyl-9H-purin-6-amines
Gundersen, Lise-Lotte
;
Görbitz, Carl Henrik
;
Neier, Liina
;
Roggen, Heidi
;
Tamm, Toomas
Theoretical chemistry accounts
2011
/
p. 349-359
journal article
2
journal article
Calculation of hydration enthalpies of aqueous transition metal cations using two coordination shells and central ion substitution
Uudsemaa, Merle
;
Tamm, Toomas
Chemical physics letters
2004
/
1/3, lk. 54-58 : ill
https://www.sciencedirect.com/science/article/abs/pii/S0009261404016781
journal article
3
journal article
Controlling chirogenic effects in porphyrin based supramolecular systems: theoretical analysis versus experimental observations
Osadchuk, Irina
;
Luts, Hanna-Eliisa
;
Zahharova, Aleksandra
;
Tamm, Toomas
;
Borovkov, Victor
ChemPhysChem
2024
/
art. e202400104
https://doi.org/10.1002/cphc.202400104
journal article
4
dissertation
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 baasil
Tamp, Sven
2007
https://www.ester.ee/record=b2269605*est
dissertation
5
journal article
Inclusion of additional coordination sphere into cluster-model redox potential calculations
Uudsemaa, Merle
;
Tamm, Toomas
AIP conference proceedings
2007
/
2, p. 495-499
https://ui.adsabs.harvard.edu/abs/2007AIPC..963..495U/abstract
journal article
6
journal article
Investigation of the solar cell materials Cu(In,Ga)Se2 and Cu2ZnSnS4 with muon spin spectroscopy and density-functional calculations
Vilao, Rui C.
;
Marinopoulos, Apostolos G.
;
dos Santos, Diego Garcia
;
Alberto, Helena Vieira
;
Gil, Joao Campos
;
Mengyan, Patrick W.
;
Kauk-Kuusik, Marit
;
Lord, James
;
Weidinger, Alois
Journal of applied physics
2024
/
art. 055704
https://doi.org/10.1063/5.0205837
journal article
7
journal article
Isomers and conformers of complexes of Ti(OiPr)4 with cuclopentane-1,2-dione : NMR study and DFT calculations
Osadchuk, Irina
;
Pehk, Tõnis
;
Paju, Anne
;
Lopp, Margus
;
Öeren, Mario
;
Tamm, Toomas
International journal of quantum chemistry
2014
/
p. 1012-1018 : ill
journal article
8
book article
Redox potentials from DFT calculations
Uudsemaa, Merle
;
Tamm, Toomas
XIIth International Congress of Quantum Chemistry : May 21-26, 2006, Kyoto, Japan : program and abstract
2006
/
p. B075
book article
9
journal article EST
/
journal article ENG
Shortfall of B3LYP in reproducing NMR JCH couplings in some isomeric epoxy structures with strong stereoelectronic effects : a benchmark study on DFT functionals
Adamson, Jasper
;
Nazarski, Ryszard B.
;
Jarvet, Jüri
;
Pehk, Tõnis
;
Aav, Riina
ChemPhysChem
2018
/
p. 631-642 : ill
https://doi.org/10.1002/cphc.201701125
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Article at WOS
journal article EST
/
journal article ENG
10
journal article EST
/
journal article ENG
Solution-mediated inversion of SnSe to Sb2Se3 thin-films
Polivtseva, Svetlana
;
Kois, Julia
;
Kruzhilina, Tatiana
;
Kaupmees, Reelika
;
Klopov, Mihhail
;
Molaiyan, Palanivel
;
van Gog, Heleen
;
van Huis, Marijn A.
;
Volobujeva, Olga
Nanomaterials
2022
/
art. 2898
https://doi.org/10.3390/nano12172898
Journal metrics at Scopus
Article at Scopus
Journal metrics at WOS
Article at WOS
journal article EST
/
journal article ENG
11
journal article
Supramolecular chirogenesis in a sterically hindered Porphyrin : a critical theoretical analysis
Osadchuk, Irina
;
Luts, Hanna-Eliisa
;
Norvaiša, Karolis
;
Borovkov, Victor
;
Senge, Mathias O.
Chemistry : a European journal
2023
https://doi.org/10.1002/chem.202301408
journal article
12
journal article EST
/
journal article ENG
Supramolecular chirogenesis in a sterically hindered porphyrin: a critical theoretical analysis
Osadchuk, Irina
;
Luts, Hanna-Eliisa
;
Norvaiša, Karolis
;
Borovkov, Victor
;
Senge, Mathias O.
Chemistry : a European journal
2023
/
art. e202302275
https://doi.org/10.1002/chem.202302275
Journal metrics at Scopus
Article at Scopus
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Article at WOS
journal article EST
/
journal article ENG
13
journal article
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, Lars
Inorganic chemistry communications
2008
/
9, p. 1019-1022 : ill
https://www.sciencedirect.com/science/article/pii/S1387700308002281
journal article
14
journal article
2-Substituted agelasine analogs : Synthesis and biological activity, and structure and reactivity of synthetic intermediates
Roggen, Heidi
;
Bohlin, Lars
;
Burman, Robert
;
Charnock, Colin
;
Felth, Jenny
;
Görbitz, Carl Henrik
;
Larsson, Rolf
;
Tamm, Toomas
;
Gundersen, Lise-Lotte
Pure and applied chemistry
2011
/
p. 645-653
journal article
Number of records 14, displaying
1 - 14
subject term
11
1.
tihedusfunktsionaali teooria
2.
ahelate teooria (elektrotehnika)
3.
kapitalide teooria (sotsiololoogia)
4.
Maxwelli teooria
5.
mehhanismide ja masinate teooria
6.
operaatorite teooria
7.
optimaalse juhtimise teooria
8.
piirangute teooria
9.
tunneleerimise teooria
10.
tõestuste teooria
11.
vigade teooria
TTÜ subject term
1
1.
Mazurkiewiczi jälgede teooria
TTÜ department
1
1.
statistika teooria ja ökonomeetria õppetool
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