Quantum mechanics

Quantum Mechanics and the Hydrogen Atom, Many-Electron Atoms and Chemical Bonding, Molecular Orbitals, Spectroscopy, and Chemical Bonding,... as the main contents of the lesson lecture 9 "Tentative material to be covered for Exam 2". Invite you to consult the lesson for more documents serving the academic needs and research.

38p nguyenphong201 11-12-2015 36 2   Download

Lecture Physics A2: Fundamental of Quantum Mechanics - PhD. Pham Tan Thi present the content diffraction of light/electron by one slit, double-slits experiments for electrons, wave-particle duality, De Broglie’s hypothesis, for a non-relativistic free particle,...

41p xusong 21-07-2021 32 2   Download

Lecture Physics A2: Atomic physics - PhD. Pham Tan Thi present the content history of atomic model, quantum mechanical atomic theory, Schrödinger Equation in three dimensions, particle in a three-dimensional box, energy degeneracy,...

39p xusong 21-07-2021 32 2   Download

The limits of current micro-scale technology is approaching rapidly. As the technology is going toward nano-scale devices, physical phenomena involved are fundamentally different from micro-scale ones. Principles in classical physics are no longer powerful enough to explicate the phenomena involved in nano-scale devices. At this stage, quantum mechanic sheds some light on those topics which cannot be described by classical physics. The primary focus of this research work is the development of an analysis technique for understanding the behavior of strongly perturbed harmonic oscillators.

165p runthenight07 01-03-2023 8 3   Download

This research is built upon the determination of the Eigenpairs of one and two dimensional positive differential operators with periodic boundary conditions. The Schrödinger equation was solved for positive operators in both one and two dimensions. Fourier series were used to express the derivatives as the summation of Fourier terms. This led to a novel approach for the calculation of the eigenmodels of a perturbed potential well. The perturbation can be done via an electric field applied to the potential well.

88p runthenight07 01-03-2023 7 3   Download

DFT calculations indicate that the decomposition reaction of nitroethyl benzoates in the presence of 1,3-dimethylimidazolium cation takes place much faster than in the case of the non-catalyzed process. Additionally, our calculations suggest one-step polar mechanism of title reactions.

8p tocectocec 25-05-2020 13 1   Download

The quantum-chemical modeling mechanism of the [4+2]-cycloaddition reaction of 2,3 dimethylbuta-1,3-diene and methyl acrylate was conducted. Its qualitative aspects were analyzed at the molecular level by the program MOPAC2012 and semiempirical method RM1.

6p tocectocec 25-05-2020 7 1   Download

The mechanism of corrosion inhibition was explored and supplemented by adsorption and surface morphological studies. Quantum mechanical investigations on corrosion behaviour of compounds were also conducted and satisfying correlation was noticed between the results of corrosion measurement methods and quantum mechanical evaluations.

12p tocectocec 25-05-2020 20 2   Download

The corrosion inhibition efficiencies of two novel Schiff bases, namely (E)-3-[thiophen-2-lmethyleneamino]benzoic acid (T2YMABA) and (E)-4-(5-[(2-phenylhydrazono) methyl]thiophen-2-yl)benzoic acid (PHMT2YBA) on mild steel (MS) in 1.0M HCl solution has been investigated and compared using electrochemical impedance spectroscopy and potentiodynamic polarization analysis.

10p tocectocec 25-05-2020 19 2   Download

Recent years have witnessed high levels of activity in identifying enzyme systems that catalyse H-transfer by quantum tunneling. Rather than being restricted to a small number of specific enzymes as perceived initially, it has now become an accepted mechanism for H-transfer in a growing number of enzymes. Furthermore, H-tunneling is driven by the thermally induced dynamics of the enzyme. In some of those enzymes that break stable C–H bonds the reaction proceeds purely by quantum tunneling, without the need to partially ascend the barrier.

7p system191 01-06-2013 40 3   Download

Kinetic experiments with a substrate series of phenylacetyl-arylamides reveal that at least one polar group in the amine moiety is required for the proper orientation of the substrate in the large nucleophile-binding subsite of penicillin acylase ofEscherichia coli. Quantum mechanical molecular model-ling of enzyme–substrate interactions in the enzyme active site shows that in the case of substrates lacking local sym-metry, the productive binding implies two nonsymmetrical arrangements with respect to the two positively charged guanidinium residues of ArgA145 and ArgB263....

8p dell39 03-04-2013 43 3   Download

At least half of all enzyme-catalysed reactions are thought to involve a hydrogen transfer. In the last 10 years, it has become apparent that many of these reactions will occur, in part, or in full, by quantum mechanical tunnelling. We are particularly interested in the role of promoting vibra-tions on H transfer, and the Old Yellow Enzyme family of flavoproteins has proven to be an excellent model system with which to examine such reactions.

12p vinaphone15 25-02-2013 27 4   Download

Molecular dynamics simulations employing a combined quantum mechani-cal and molecular mechanical potential have been carried out to elucidate the reaction mechanism of the hydrolysis of a cyclic nucleotide cAMP sub-strate by phosphodiesterase 4B (PDE4B).

17p cosis54 05-01-2013 44 4   Download

Tuyển tập báo cáo các nghiên cứu khoa học quốc tế ngành y học dành cho các bạn tham khảo đề tài: Dynamics and mechanisms of quantum dot nanoparticle cellular uptake

9p toshiba25 08-12-2011 52 5   Download

Collection of research reports best university in 2007 honored the author: 12. Truong Van Nam, Nguyen Xuan Dung, study the effect of substituents on the properties of aniline by approximate methods AM1 quantum ... Quantum mechanics is one of the fundamental theory of physics. Quantum mechanics is an extension and supplement of Newtonian mechanics (also known as classical mechanics). It is the basis of many other disciplines of physics and chemistry as solid state physics, chemistry quantum particle physics.

6p phalinh14 07-08-2011 86 3   Download

This thesis presents time-resolved measurements of the spin evolution of transient carrier populations in III-V quantum wells. Non-equilibrium distributions of spin polarisation were photoexcited and probed with picosecond laser pulses in three samples; a high mobility modulation n-doped sample containing a single GaAs/AlGaAs quantum well, an In0.11Ga0.89As/GaAs sample containing three quantum wells and, a multi-period GaAs/AlGaAs narrow quantum well sample.

157p tieulaubau 21-06-2011 84 7   Download

Tạp chí La Recherche số tháng 4/2008 có đăng bài báo của các tác giả Michel Bitbol, Anton Zeilinger, Markus Aspelmeyer, Carlo Rovelli & Matteo Smerlak nêu lên quan điểm sai lầm của Einstein về cơ học lượng tử (CHLT) và đưa ra một quan điểm mới về CHLT: Cơ học lượng tử tương quan (Relational Quantum Mechanics, viết tắt là RQM ). Nội dung bài báo không chỉ liên quan đến CHLT mà đặt ra một vấn đề quan trọng trong nhận thức luận đối với thế giới khách quan. Bài báo sẽ rất bổ ích và cần...

19p halinh 17-03-2011 246 79   Download

Một trong những điều gây cảm hứng nhất của khoa học là nó làm thay đổi cái nhìn của chúng ta về thế giới này dưới ánh sáng của những khám phá mới. Cho đến nay, vật lí học vẫn còn đang loay hoay dò đường trước một bước ngoặt quan trọng (paradigm shift1) kể từ khi có sự phát khởi của thuyết tương đối và cơ học lượng tử (quantum mechanics) ở vào đầu thế kỉ XX. Các nhà khoa học cũng như triết học thường xuyên phải đương đầu với nhiều mô hình trái ngược nhau về bản chất của thực tại: thuyết Newton cho rằng...

17p huyhoang89 24-05-2010 294 112   Download