In this video, ACS editors will provide some tips to help you decide whom to suggest as reviewers for your article. The reviewers will not only make recommendations on whether or not the work should be published, but on its suitability for the journal. They will also make comments and suggestions to help you improve the quality and clarity of your manuscript, and perhaps even to improve your science. Your article, when published, will be better for having gone through this process. It is to your advantage to have knowledgeable and rigorous reviewers evaluating your manuscript.
Showing posts with label tutorial. Show all posts
Showing posts with label tutorial. Show all posts
2/11/11
Practical Approaches of Quantum Chemistry [part 1]
Anant Babu Marahatta
Ph.D. student in chemistry
Tohoku University
Japan
Even the high school/senior high school students are acquainted with the “Bohr model” which says electrons are "particles" that revolve around the nucleus in orbits and are quantized so that they can show absorption and emission phenomena.
It is a primitive model of the hydrogen atom though it is verified later after the introduction of the quantum mechanical concept.
This model strongly supports the existence of the “Covalent Bond Theory [CBT]” and the “Valence Shell Electron Pair Repulsion theory [VSEPR]” of bonding between the atoms.
The “Quantum model” on the other hand, says that electrons are not particles, but have wavelike characteristics just like photons and their wave length can be explained by the “de Broglie's equation”.
In order to calculate the various properties of the electrons, Quantum model developed a famous equation by considering the “de Broglie concept” which is named as a Schrödinger’s equations and appeared as a stepping stone of the Quantum chemistry / Physics. I am sure that most of the chemistry undergrad./ grad. students are encountered with these two forms of Schrödinger equations:
Ĥ ψ = E ψ & Ĥ ψ = iħ (δ/ δt)ψ (time independent and time dependent respectively). These equations model the atoms and molecules with mathematics.
It is well-known for the physical chemists that the quantum n-body problem [many electrons atoms or molecules, beyond Helium] cannot be solved analytically. However, the case for Hydrogen molecular ion [H2+ = 1 electron system] is relatively easy and the results normally agree with the information obtained by the chemical experiments. By considering such agreements, the necessity of the Quantum chemistry arises in order to verify and explore the chemistry of the micro particles which act as a foundation of the matter. The following movie has highlighted about the “Quantum chemistry in action” which explains the equilibrium process between ionized water and hydroxyl radical [OH.] plus hydronium ion [H3O+].
The detailed applications and the general way of simplifying Schrödinger equations will be posted on the days to come. Interested fellows are suggested to visit the site time to time.
---------------------To be continued-----------------------
Ph.D. student in chemistry
Tohoku University
Japan
Even the high school/senior high school students are acquainted with the “Bohr model” which says electrons are "particles" that revolve around the nucleus in orbits and are quantized so that they can show absorption and emission phenomena.
It is a primitive model of the hydrogen atom though it is verified later after the introduction of the quantum mechanical concept.
This model strongly supports the existence of the “Covalent Bond Theory [CBT]” and the “Valence Shell Electron Pair Repulsion theory [VSEPR]” of bonding between the atoms.The “Quantum model” on the other hand, says that electrons are not particles, but have wavelike characteristics just like photons and their wave length can be explained by the “de Broglie's equation”.
In order to calculate the various properties of the electrons, Quantum model developed a famous equation by considering the “de Broglie concept” which is named as a Schrödinger’s equations and appeared as a stepping stone of the Quantum chemistry / Physics. I am sure that most of the chemistry undergrad./ grad. students are encountered with these two forms of Schrödinger equations: Ĥ ψ = E ψ & Ĥ ψ = iħ (δ/ δt)ψ (time independent and time dependent respectively). These equations model the atoms and molecules with mathematics.
It is well-known for the physical chemists that the quantum n-body problem [many electrons atoms or molecules, beyond Helium] cannot be solved analytically. However, the case for Hydrogen molecular ion [H2+ = 1 electron system] is relatively easy and the results normally agree with the information obtained by the chemical experiments. By considering such agreements, the necessity of the Quantum chemistry arises in order to verify and explore the chemistry of the micro particles which act as a foundation of the matter. The following movie has highlighted about the “Quantum chemistry in action” which explains the equilibrium process between ionized water and hydroxyl radical [OH.] plus hydronium ion [H3O+].
The detailed applications and the general way of simplifying Schrödinger equations will be posted on the days to come. Interested fellows are suggested to visit the site time to time.
---------------------To be continued-----------------------
10/8/10
Some MSc Thesis in Chemistry available online
Some thesis works carried out by our fellow chemists are now available online. This way these research works can be viewed from any part of the world. Specially it will help graduate students in Nepal who are doing chemistry related research works. If your thesis or journal article is available online or want to put online and make it accessible to everyone, plz send us an email at nchemgrad@gmail.com
Some documents presented here are downloaded and printable and some are not. It solely depends on the authorization that we receive from author. If you can not download and/or print, let the author know.
We will add more of such research works as we receive in future.
We will add more of such research works as we receive in future.
- End point detection with Gran Plot and inherent titration error,Basant Giri, MSc thesis, CDC-TU. Advisor-Prof Raja Ram Pradhananga
- Ab Initio Dynamics Simulation of Molecular Gyroscope, Ananta Babu Marahatta, MS thesis, Department of Chemistry, Tohoku University, Japan, Advisor-Prof Hirohiko Kono
- THIN FILM CuS ELECTRODE FOR THE DETERMINATION OF Cu2+, Cr3+ & Fe3+ IN AQUEOUS SOLUTION, Basu Panthi, MSc thesis, CDC-TU, Advisor-Prof Raja Ram Pradhananga
EXTRACTION AND ESTIMATION OF THORIUM (IV) IN THE ENVIRONMENTAL SAMPLES, Ramjee Kandel, MSc Thesis, CDC-TU, Advisor-Prof Kamal K Shrestha
Ab Initio Dynamics Simulation of the Molecular Gyroscope
THIN FILM CuS ELECTRODE FOR THE DETERMINATION OF Cu2+, Cr3+ & Fe3+ IN AQUEOUS SOLUTION
EXTRACTION AND ESTIMATION OF THORIUM (IV) IN THE ENVIRONMENTAL SAMPLES
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