Aleksander Trummal

Dr. Aleksander Trummal

orcid

Research Focus & Metrics

Academic Career Length

32Years (1995-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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2 May 2012 in Journal of Physical Organic Chemistry
Verified
Journal Article
Closed access
PDF file
ERElin Raamat
Elin Raamat
KKKarl Kaupmees
Karl Kaupmees
GOGea Ovsjannikov
Gea Ovsjannikov
ATAleksander Trummal
Aleksander Trummal
AKAgnes Kütt
Agnes Kütt
ILIvo Leito
Ivo Leito

6 May 2016 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
ATAleksander Trummal
Aleksander Trummal
LLLauri Lipping
Lauri Lipping
IKIvari Kaljurand
Ivari Kaljurand
IKIlmar A. Koppel
Ilmar A. Koppel
ILIvo Leito
Ivo Leito

1 August 2008 in Journal of Instrumentation
Verified
Journal Article
Closed access
PDF file
TCThe TOTEM Collaboration
The TOTEM Collaboration
GAG Anelli
G Anelli
GAG Antchev
G Antchev
PAP Aspell
P Aspell
VAV Avati
V Avati
JWJ Wu
J Wu

1 January 2014 in Croatica Chemica Acta
Verified
Journal Article
Open access
KKKarl Kaupmees
Karl Kaupmees
ATAleksander Trummal
Aleksander Trummal
ILIvo Leito
Ivo Leito
Aqueous pKa values of strong organic bases – DBU, TBD, MTBD, different phosphazene bases, etc – were computed with CPCM, SMD and COSMO-RS approaches. Explicit solvent molecules were not used. Direct computations and computations with reference pKa values were used. The latter were of two types: (1) reliable experimental aqueous pKa value of a reference base with structure similar to the investigated base or (2) reliable experimental pKa value in acetonitrile of the investigated base itself. The correlations of experimental and computational values demonstrate that direct computations do not yield pKa predictions with useful accuracy: mean unsigned errors (MUE) of several pKa units were observed. Computations with reference bases lead to MUE below 1 pKa unit and are useful for predictions. Recommended aqueous pKa values are proposed for all investigated bases taking into account all available information: experimental pKa values in acetonitrile and water (if available), computational pKa values, common chemical knowledge

4 May 2009 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
ATAleksander Trummal
Aleksander Trummal
ARAlar Rummel
Alar Rummel
ELEndel Lippmaa
Endel Lippmaa
PBPeeter Burk
Peeter Burk
IKIlmar A. Koppel
Ilmar A. Koppel

29 January 2000 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
PBPeeter Burk
Peeter Burk
IKIlmar A. Koppel
Ilmar A. Koppel
ARAlar Rummel
Alar Rummel
ATAleksander Trummal
Aleksander Trummal