Dr. Jelena Tamuliene Profile

Dr. Jelena Tamuliene

SPIE Involvement:

Author

Publications (7)

Proceedings Article | 20 September 2020 Presentation + Paper

Detection of explosives by ultrasonic spectrum upon pulsed laser initiation

Aleksej Rodin, Jonas Sarlauskas, Jelena Tamuliene, Augustinas Petrulėnas

Proceedings Volume 11542, 115420E (2020) https://doi.org/10.1117/12.2573678

KEYWORDS: Ultrasonics, Explosives, Pulsed laser operation, Nd:YAG lasers, Forensic science, Explosives detection

Read Abstract +

Proceedings Article | 16 October 2019 Presentation + Paper

New type Cu(N_3_)2 metal-azides for laser initiation

Jonas Sarlauskas, Jelena Tamuliene, Aleksej Rodin, Ernestas Kuodis

Proceedings Volume 11165, 111650C (2019) https://doi.org/10.1117/12.2527664

KEYWORDS: Laser damage threshold, Laser energy, Laser induced breakdown spectroscopy, Safety, Explosives, Metals, Chemical analysis, Chemical reactions, Laser safety, Fiber lasers

Read Abstract +

Proceedings Article | 17 June 2009 Paper

Study of single structure of Co[sub]n[/sub] (n=6, 8, 10, 12, 14,16,18) nanoparticles

Jelena Tamulienė, Goncal Badenes, Rimas Vaišnoras, Mindaugas Balevičius, Loreta Rasteniene

Proceedings Volume 7377, 737709 (2009) https://doi.org/10.1117/12.836438

KEYWORDS: Particles, Chemical species, Nanoparticles, Cobalt, Magnetism, Crystals, Chemical elements, Transmission electron microscopy, Pollution control, Spherical lenses

Read Abstract +

Proceedings Article | 25 January 2007 Paper

Geometrical structure of small Co nanoparticles

Jelena Tamulienė, Rimas Vaišnoras, Mindaugas-Leonas Balevičius, Loreta Rastinienė

Proceedings Volume 6596, 65961G (2007) https://doi.org/10.1117/12.726518

KEYWORDS: Cobalt, Nanoparticles, Particles, Chemical species, Magnetism, Chemical elements, Anisotropy, Iron, Pollution control, Crystals

Read Abstract +

Proceedings Article | 16 May 2001 Paper

Ab initio quantum chemical design of supermolecule logical devices

Arvydas Tamulis, Zilvinas Rinkevicius, Jelena Tamuliene, Vykintas Tamulis, Mindaugas Balevicius, Andrzej Graja

Proceedings Volume 4290, (2001) https://doi.org/10.1117/12.426905

KEYWORDS: Molecules, Fullerenes, Bridges, Supramolecular assemblies, Logic, Cadmium sulfide, Molecular bridges, Logic devices, Chemical species, Nanoparticles

Read Abstract +

The geometrical structure of both the ground and excited state of the azo-dyes: Disperse Orange 3 (DO3) and Ch₂- C₄H₄-N=N-C_{44/H(subscript 4}-CH₂ molecules have been investigated applying the Hartree Fock (HF), density functional theory (DFT) methods with the Berny geometry optimization and Ames Laboratory determinant (ALDET)single- double-triple-quadra configuration interaction (SDTQ-CI) method. The investigations proved that the above-mentioned molecules can not rotate around the -N=N- bond. Thus, the alternative mechanism of the isomerization of the DO3 molecule per linear transition state has been suggested and investigated. The obtained one- and many- electron energy diagrams have been drawn. According to these diagrams the above mentioned isomerization way is possible. The mechanism of the isomerization of the azo-dyes molecule per linear transition state is suggested and investigated. The results of light induced internal molecular motions in azo-dyes molecules have been used for the design of light driven logically controlled molecular machines composed form photoactive organic molecules such as carbazole, 1,4- phenylenediamine (PhDA) and 4,5-dinitro- 9(dicyanomethylidene)-fluorene (DN9(CN)₂F), Dithieno[3,2-b:2',3'-d]thiphene and Ferocene (C₁₀H₁₀Fe) molecules joined with -CH=CH- or -N=N- bridges. Ab initio DFT B3PW91 model using 6-311G** and Watanabe (WBTS) basis sets calculations show the stability of Sc₃N and ErSc₂ molecules which exist inside endohedral fullerene C₈₀ derivatives: Sc₃NC₈₀. Analysis of electronic structure of inside clusters allowed proposing that these endohedral fullerenes might be used for electro- optical and magneto-optical switches and for information storage. We performed design of molecular logical devices based on organic electron donor and electron acceptor molecules, fullerene C₆₀ substituted derivative CH₂C₆₀, electron donor-bridge-electron acceptor dyads and triads. Design of new series molecular implementations (MI) of two variable logic functions: AND (NAND), OR (NOR) is based on geometry optimization procedure. Molecular triggers and molecular dynamic memory were designed based on investigations of photo-excitation movements and charge transfer of aza-fullerene supermolecule (NH₂)CH-NC₅₉-NC₅₉-CH(NO₂). Our ab initio DFT B3PW91/LanL3DZ calculation of HOMO-LUMO gap in CdS nanocluster without four phenyle fragments gives value equal to 3.85 eV and the same method calculation of CdS nanocluster with four phenyle fragments gives HOMO-LUMO gap value equal to 3.66 eV. 121

Proceedings Article | 15 December 2000 Paper

Quantum chemical investigation of the Disperse Orange 3 molecule cis-trans isomerization through linear transition state and design of molecular machines

Arvydas Tamulis, Jelena Tamuliene, Mindaugas Balevicius, Jean-Michel Nunzi

Proceedings Volume 4087, (2000) https://doi.org/10.1117/12.406467

KEYWORDS: Molecules, Bridges, Molecular machines, Molecular bridges, Supramolecular assemblies, Absorption, Chemical species, Data modeling, Motion models, Near ultraviolet

Read Abstract +

Proceedings Article | 19 May 2000 Paper

Quantum mechanical investigations of photoactive molecules and design of molecular machine and logical devices

Arvydas Tamulis, Jelena Tamuliene, Mindaugas Balevicius, Jean-Michel Nunzi

Proceedings Volume 3939, (2000) https://doi.org/10.1117/12.386382

KEYWORDS: Molecules, Molecular machines, Bridges, Supramolecular assemblies, Optimization (mathematics), Absorption, Molecular bridges, Chemical species, Quantum physics, Near ultraviolet

Read Abstract +

Showing 5 of 7 publications

View contact details

UPDATE YOUR PROFILE

Is this your profile? Update it now.

Sign into your SPIE.org account

Don’t have a profile and want one?

Create an account on SPIE.org

Keywords/Phrases

Search In:

Publication Years