Publikacijos

On the Dimers Stability of Allicin and Its Derivatives Interacting with AT, GC, and DNA Bridge: DFT Study

2017-03-29 13:06

On the Dimers Stability of Allicin and Its Derivatives Interacting with AT, GC, and DNA Bridge: DFT Study
Macernis M
J. Chem., Volume 2017 (2017), Article ID 1428508, 11 pages (https://doi.org/10.1155/2017/1428508)


Duomenų bazių valdymas: nuo teorijos iki MySQL

2016-06-01 00:02

Duomenų bazių valdymas: nuo teorijos iki MySQL
Mindaugas Macernis, 2016
Mokomoji knyga
ISBN-13: 978-132655498-9
Daugiau apie knygą: http://www.duomenu-baziu-valdymas.e2.lt/


Kvantinės chemijos ir fizikos skaičiavimų automatizavimas panaudojant superkompiuterius

2016-02-10 10:30

Kvantinės chemijos ir fizikos skaičiavimų automatizavimas panaudojant superkompiuterius

M. Mačernis (oral)
Šeštoji jaunųjų mokslininkų konferencija (LMA) „Fizinių ir technologijos mokslų tarpdalykiniai tyrimai“
2016, Vilnius, Lithuania


Quantum chemical study of excited states of phthalocyanine-carotenoid light harvesting antennae

2015-10-10 13:28

Quantum chemical study of excited states of phthalocyanine-carotenoid light harvesting antennae

S. Malickaja, M. Mačernis, J. Šulskus, L. Valkūnas
FM&NT-2015: Functional materials and nanotechnologie
2015, Vilnius, Lietuva


Resonance Raman Spectra of Carotenoid Molecules: Influence of Methyl Substitutions

2015-01-12 17:00

Resonance Raman Spectra of Carotenoid Molecules: Influence of Methyl Substitutions
Macernis M; Galzerano D; Sulskus J; Kish E; Kim YH; Koo S; Valkunas L; Robert B
J. Phys. Chem. A, 2015, 119 (1), 56–66 (http://dx.doi.org/10.1021/jp510426m)
2015


Raman, 11Bu+ excitation state spectra of Carotenoids in solvent, protein and crystals: a DFT study

2014-08-27 11:29

Raman, 11Bu+ excitation state spectra of Carotenoids in solvent, protein and crystals: a DFT study
Mindaugas Macernis (oral)
Perspectives in highly caonjugated molecules calculations
2014, Courchamps, Prancūzija


Study of artificial light harvesting antennae by quantum chemical methods

2014-05-23 15:14

Study of artificial light harvesting antennae by quantum chemical methods
Svetlana Malickaja, Mindaugas Macernis, Juozas Sulskus, Leonas Valkunas
11th Nordic Femtochemistry Conference
2014, Vilnius, Lithuania


Raman and electronic absorption spectra in Carotenoids: A Density Functional Theory Study

2014-05-23 15:13

Raman and electronic absorption spectra in Carotenoids: A Density Functional Theory Study
Mindaugas Macernis
11th Nordic Femtochemistry Conference
2014, Vilnius, Lithuania


Resonance Raman Spectra and Electronic Transitions in Carotenoids: A DFT Study

2014-02-16 22:45

Resonance Raman Spectra and Electronic Transitions in Carotenoids: A DFT Study
Macernis M; Sulskus J; Malickaja S Ruban A; Valkunas L
J. Phys. Chem. A, 2014, 118 (10), 1817–1825 (http://dx.doi.org/10.1021/jp406449c)
2014


Solvent effect on the photo-induced proton transfer in 2-(N-methyl-α-iminoethyl)-phenol

2013-12-18 14:27

Solvent effect on the photo-induced proton transfer in 2-(N-methyl-α-iminoethyl)-phenol
Toliautas S.; Macernis M; Sulskus J.; Valkunas L
Chem Phys Lett 2014, (591), 52-57 (http://dx.doi.org/10.1016/j.cplett.2013.10.084)
2014