Transition states

The derived temperature dependences of the peak intensities, separations and half-widths of the separate spectral peaks in the A-band phonon progressions indicate the different trends for vibration-free zero-phonon electronic transition and vibration-related lower-energy electronic transitions to high vibrational levels of the ground electronic state – lower thermal damping and more softened phonon for the zero-phonon transition, also implying the extended defect origin of the A-band photoluminescence.

9p dianmotminh02 03-05-2024 3 1   Download

This article presents computational insights into the geometric and electronic structures of NbSi4 −/0 clusters using density functional theory and the CASSCF/CASPT2 method. The anionic and neutral ground states are identified as the 1A′ and 2A′ states, respectively, within a trigonal bipyramidal isomer where the Nb atom occupies the equatorial position. The adiabatic detachment energy for the transition from the anionic ground state 1A′ to the neutral ground state 2A′ is estimated to be 2.30 eV.

8p dianmotminh02 03-05-2024 5 2   Download

Bài giảng Phân tích hướng đối tượng UML: Bài 2 Ngôn ngữ mô hình hóa thống nhất UML, cung cấp cho người đọc những kiến thức như: Mô hình là gì; Mô hình hóa trực quan; Sơ lược về lịch sử UML; Collaboration Diagram; State Transition Diagram;... Mời các bạn cùng tham khảo!

32p chankora08 04-07-2023 15 3   Download

Bài giảng Phân tích thiết kế phần mềm: Chương 5 State machine diagram, cung cấp cho người đọc những kiến thức như: Introduction; States; Transitions; Types of events; Types of states; Entry and exit points. Mời các bạn cùng tham khảo!

10p chankora08 04-07-2023 19 10   Download

Within the urban landscape, the tempo of destruction and redevelopment of our built environment reveals a palimpsest of change. The abandonment of these sites could go unnoticed, often a fleeting moment before destruction, with the next structure then re-cloaking the land. This research project locates itself spatially and conceptually within this pause or transitional state of select sites. It utilises this brief period of time to consider how these sites can offer poetic information and new readings as creative practice, despite their impending obsolescence.

135p runthenight04 02-02-2023 4 2   Download

Bài giảng Thiết kế hệ thống nhúng (Embedded Systems Design) - Chương 5 (Bài 9): RTOS và Kỹ thuật lập lịch. Những nội dung chính trong chương này gồm có: Giới thiệu chung về RTOS, các yêu cầu với RTOS, các nhiệm vụ (Tasks), các trạng thái của nhiệm vụ, task states transitions, bộ lập lịch RTOS,... Mời các bạn cùng tham khảo.

15p lovebychance03 13-07-2021 35 6   Download

Purpose: Developing mean-field theory for a 2D two-band model including electron – phonon interaction and the extended Falicov-Kimball model involving electron/hole – phonon interaction. Studying the properties of electronic systems in EI state through investigating the above models. Then, we compare the nature of each condensation state on both sides of the BCS – BEC crossover or the competition with the CDW state.

27p extraenglish 24-05-2021 16 5   Download

The thesis is carried out with the aim of providing scientific arguments to improve policies and the quality of the implementation of SOE restructuring in the process of transitioning to a market economy in our country.

28p cothumenhmong10 19-03-2021 42 3   Download

Thesis focus on the problem of “Excitonic condensation in semimetal – semiconductor transition systems” to investigate the nature of the excitonic condensation state in these models by using MF theory. Electronic correlation in the systems is described by the two-band model including electron – phonon interaction and the extended Falicov-Kimball model involving electron – phonon interaction.

27p larachdumlanat129 20-01-2021 14 4   Download

Basing on the Cornwall-Jackiw-Tomboulis (CJT) effective action approach, a theoretical formalism is established to study the Phase Transition in a binary mixture. The effective potential, which preserves the Goldstone theorem, is found in the Hartree-Fock (HF) approximation. This quantity is then used to consider the equation of state and the phase transition of the system.

11p larachdumlanat127 20-12-2020 11 2   Download

Using ab-initio calculations at the MP2/6-311G(3df, 2pd), a very high level theory, we obtained minimum energy structures for the C2H5O radical, products and transition states of reactions on the potential energy surface.

7p tamynhan9 02-12-2020 17 1   Download

An examination of the first-row-transition-metal-doped boron clusters, B14M (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) in the neutral state, is carried out using DFT quantum chemical calculations. The lowest-energy equilibrium structures of the clusters considered are identified at the TPSSh/ 6- 311+G(d) level. The structural patterns of doped species evolve from exohedrally capped quasi-planar structure B14 to endohedrally doped double-ring tubular when M is from Sc to Cu.

7p nguaconbaynhay9 03-12-2020 13 1   Download

The equations of state (EOS) of asymmetric nuclear matter (ANM) in an extended Nambu-Jona-Lasinio (ENJL) model was investigated by means of examining effective potential in one-loop approximation. Our numerical results show that isospin dependence of saturation density in our model is reasonably strong and critical temperature for liquid-gas phase transition decreases with increasing neutron excess.

7p tamynhan8 04-11-2020 10 1   Download

The equations of state of asymmetric nuclear matter (ANM) starting from the effective potential in a one-loop approximation is investigated. It was showen that chiral symmetry is restored at high nuclear density and the liquid-gas phase transition are both strongly influenced by the isospin degree of freedom.

7p tamynhan8 04-11-2020 13 1   Download

The equations of state (EoS) of asymmetric nuclear matter (ANM) starting from the effective potential in a one-loop approximation is investigated. The numerical computation showed that chiral symmetry is restored asymptotically at high nuclear density and liquid-gas phase transition in asymmetric nuclear matter is first-order.

6p tamynhan8 04-11-2020 14 1   Download

The thesis aims to investigate the impact of state ownership and banking system reform on the relationship between firm’s investment and internal cash flows in the context of small transition economy – Vietnam.

24p trinhthamhodang8 20-10-2020 36 3   Download

The study examines the effect of state ownership on the relationship between investment and cash flow in Vietnam, a small transitional economy.

178p trinhthamhodang8 20-10-2020 9 1   Download

C2H5OH has been using as an alternative fuel for decades; HO2 also plays a pivotal role in the combustion. The kinetics and mechanism for the reaction between C2H5OH and HO2 radical have been investigated using the molecular parameters for the reactants, transition states and products predicted at the CCSD(T)//B3LYP/6-311++G(3df,2p) level of theory.

7p tamynhan6 14-09-2020 16 1   Download

The second essay examines the effect of banking system reform, which is defined by the presence of foreign banks, on investment-cash flow relation in a context of a small transition economy. I find evidence that the presence of foreign banks in Vietnam results in decreasing in firm’s dependence on local banks and has changed their financial constraint. Company investments are less reliant on internal cash flow in the post reform period.

178p kequaidan6 15-07-2020 23 2   Download

In this article the work of the components of information of protection tools on the occurring violations, their types and the elimination of these violations and the possible trajectory of a change over time of the functioning states of information of protection tools with a discrete time are researched.

10p lucastanguyen 01-06-2020 18 3   Download