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17 views

How can I guess/draw the shape and phase of the molecular orbitals of C4H4?

I used Huckel's method along with a Linear Combination of Atomic Orbitals (LCAO) to calculate an estimate for the orbital energies of cyclobutadiene (C4H4) and butadiene (C4H6). For butadiene, you end ...
0
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1answer
17 views

Problem with the Cooley-Numerov Method for Solving the Radial Nuclear Schodinger Equation in the Born-Oppenheimer Approximation

I have been trying to implement a solver for the radial nuclear Schodinger equation in the Born-Oppenheimer approximation using a similar method to R. J. Le Roy's LEVEL program[1]. I have as input a ...
0
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1answer
23 views

Detecting molecules in space?

http://www.forbes.com/sites/alexknapp/2012/02/24/nasa-detects-solid-buckyballs-in-space/ I refer to the above article, which mentions that buckyballs "far smaller than the width of a hair" were ...
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0answers
18 views

Bond formation in covalent bonding

Let us, for the sake of simplicity take a Hydrogen molecule(H2). The diagram shows the bond as being established between two regions of the atoms, while as far as I know it is incorrect to ...
2
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1answer
52 views

induction of van der Waals forces

Is there a way to maximize van der Waals forces between two materials, by electrifying one material, thus creating dipoles/instantaneous dipoles and thus creating stronger van der Waals forces? has ...
0
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1answer
29 views

If you compress air to a large enough pressure do new molecules form that have a large activation energy?

If you compress air to a large enough pressure do new molecules form that have a large activation energy?
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0answers
11 views

How do you calculate the optical contact bonding force of 2 1 meter by 1 meter perfectly flat surfaces?

Optical contact bonding is a phenomenon in which two perfectly flat surfaces will stick together, held purely by intermolecular forces. The trouble is, is there a way to calculate the pressure between ...
1
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1answer
40 views

How to calculate the potential energy of an $H_2$ molecule

From left to right, electron $e_1$, $e_2$ and proton $p_1$, $p_2$. $r_0=0.529nm$ The total energy is sum of energy require to bring each particle to its place. Take the place of $e_1$ is zero ...
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2answers
155 views

Extra vibrational mode in linear molecule

When calculating the number of vibrational modes for a molecule, the formulas differ for linear $(n = 3N - 5)$ and non-linear $(n = 3N - 6)$ molecules, where $n$ is number of modes and $N$ is number ...
0
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2answers
67 views

Resonate frequency of an object?

Below is a paragraph taken from the web site, physicsclassroom.com: It is often useful to think of these electrons as being attached to the atoms by springs. The electrons and their attached ...
0
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1answer
29 views

Software to calculate electron binding energy of molecules?

I need to calculate the binding energies for the various electrons in a few different molecules (to determine an appropriate wavelength to selectively ionize them). Are there any software packages to ...
1
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1answer
29 views

Molecular orbital theory

What I have learnt : When two waves overlap in phase, the resultant wave formed had a greater amplitude than that of the two interfering waves. When they overlap out of phase then the resultant ...
1
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0answers
63 views

Finding Electronic Energy Levels by Representation Theory

Let $$u=\left( \begin{array}{cccc} c_1&c_2&c_3&c_4 \end{array} \right)^T$$ for $$\psi = c_1\psi_1 + c_2\psi_2 + c_3\psi_3+ c_4\psi_4$$ We assume that $<\psi_i|\psi_j> = \delta_{ij}$ ...
2
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1answer
32 views

Energy levels in molecules

I apologize in advance if this turns out to be a duplicate question. As far as I can understand, if you bring two or more atoms together their wave functions begin to interfere and, since there ...
0
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2answers
33 views

Molecules from atoms [closed]

Why does two oxygen atoms combine to form a molecule and not 3 or 4?Also why does one sodium and one chlorine atom combine to form NaCl while two chlorine atoms are required to combine with one ...
2
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2answers
54 views

Is molecular vibration just phonon modes for a single molecule?

I'm reading about Raman Scattering, of which a big part is measuring the energy lost to/gained from Molecular Vibrations. I wasn't totally clear on exactly what is "vibrating" in vibrational modes (is ...
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3answers
3k views

Why isn't the color of a molecule a combination of the colors of its component atoms?

I was watching a documentary on youtube regarding Quantum Physics when it introduced the wavelengths of light emitted. Did a bit more research over the internet and I believe I understand the gist of ...
0
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1answer
70 views

Is possible to create water? [closed]

Theoretically is relatively easy to create water, because it is formed by only the hydrogen and one oxygen molecules. I know that the oxygen and hydrogen is highly flammable, and to union the ...
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1answer
112 views

Bimolecular recombination in few words

I'm making a short seminar about VERY broad topic of fullerenes in photovoltaics, but I'd like it to be educational (not just full of words hard to audience to make them think I'm smart). In one of ...
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0answers
21 views

How did scientists even count the mole? It is an enormous number [duplicate]

Or did they estimate the number? After all, it is impossible to locate and contain precisely that much atoms. Or was it arbitrary?
0
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1answer
49 views

Why is the melting point of an object inversly proportional to pressure?

In my science book it is written that as the pressure increases the melting point of a solid decreases but i think that it is wrong as the pessure will make the molecules stick together instead of ...
0
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0answers
42 views

What is the largest atom with a reliable configuration-interaction (CI) calculation?

The simplest approximation for calculating the ground state of an atom is the Hartree-Fock approximation. To get accurate result for the ground state energy, one has to do configuration-interaction ...
1
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1answer
85 views

How much am I floating above the chair I am sitting on? [duplicate]

The electrostatic repulsion between me and the chair keeps me hovering above the chair at all times. What is the average distance that exists between any two everyday object due to electrostatic ...
2
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0answers
44 views

Why is the water diamagnetic?

I checked using my permanent magnet that water is diamagnetic. But why is it like that? Does this have any important consequence for life?
3
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1answer
51 views

Why is the photoelectric absorption coefficient finite at the threshold frequency?

I mean the photoelectric effect of the hydrogen atom. It is weird. By the Fermi golden rule, the transition or absorption rate is proportional to the density of the final states. At threshold, the ...
2
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0answers
48 views

How did Lord Rayleigh find the volume fraction of argon to air?

In order to isolate for pure nitrogen, Lord Rayleigh and his colleagues took some air and removed oxygen, carbon dioxide, and water vapour, leaving behind what he believed to be pure nitrogen. In ...
1
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1answer
75 views

Physics involved in the DNA-structure discovery

In 1962 Francis Crick, James Dewey Watson and Maurice Hugh Frederick Wilkins won the Nobel Prize: For their discoveries concerning the molecular structure of nucleic acids and its significance for ...
2
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2answers
67 views

How do atoms in a solid “communicate” force to each other?

What is the mechanism that carries and communicates force in a solid, on the atomic level? Is there some other mechanism besides atomic deformation and proximity? That is, if I had an infinitely ...
0
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2answers
137 views

Why is the spectrum of a blue flame the way it is?

In the spectrum of the blue part in a candle flame, there’s a violet emission at 432 nm due to excited CH* molecules (chemiluminescence). Why 432? Why not 400 or 500? There are emissions at 436, 475 ...
3
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1answer
74 views

If we cut an object in half and touch the two halves together, why do the bonds not reform automatically?

A friend recently posed this question to me: let us take an arbitrary object and cut it into two pieces (not necessarily equal in any way). If we touch the two pieces back together so the object ...
4
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2answers
511 views

What is the resonant frequency of liquid water?

I learned it's not 2.45 GHz. But what is it, then? In my failure to find the real value, I'm starting to wonder: does it even make sense talking about a resonant frequency of water molecules?
9
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2answers
368 views

Why isn't in counting the no. of degrees of freedom, rotation about the axis running down the length of the molecule counted?

I was reading about the Equipartition Theorem. Then I got the following quotations from my books: A diatomic molecule like oxygen can rotate about two different axes. But rotation about the axis ...
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0answers
19 views
2
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2answers
105 views

To what fraction of the speed-of-light has any multi-atom molecule (or polyatomic ion) been accelerated?

Of course photons go $c$ in a vacuum, and seems there's data on electrons getting to $0.999999999976c$ and protons to $0.99999912c$. For the twins paradox to be plausible, one of the twins must ...
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0answers
36 views

Is it possible to get the (Pauli) repulsive term in the Lennard-Jones potential from theoretical considerations?

Title says it: Is it possible to get the form of the (Pauli) repulsive term in the Lennard-Jones potential from theoretical considerations, or is it purely found experimentally through fits?
0
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0answers
30 views

What exactly is cutting with a knife will look like on the atomic scale? [duplicate]

Some times I like to view the world in the microscopic scale .ie. at this level all objects any thing will be collection of atoms which we normally don't view with our naked eye. At that scale I ...
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0answers
23 views

Why is the potential minimum of a molecule shifted towards greater nucleii separation for excited electron states?

I know it has to do with symmetry of the wave function, but I am having trouble piecing it all together. For a positive H ion we have a symmetric wave function $\psi_{+}$, which base functions ...
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3answers
1k views

Why is the bottom part of a candle flame blue?

What’s the explanation behind the bottom part of a candle flame being blue? I googled hard in vain. I read this. I don’t understand how it’s explained by the emission of excited molecular radicals in ...
3
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3answers
240 views

How to understand this symmetry in the wavefunctions of a diatomic molecule?

In Wikipedia (and elsewhere), a particular symmetry of the quantum system of a diatomic molecule is mentioned: symmetry under reflection along a plane containing the internuclear axis. The ...
0
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2answers
138 views

Relation between sound waves and air molecules

The following was written in my book When sound waves travel in air, air molecules do not move. When wind blows,air molecules move. This produces variation in velocity of sound waves. The first ...
1
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1answer
42 views

Why does the surface structure of a metal make it hydrophobic?

I was just reading this article from phys.org describing water-repellant surfaces. However the article doesn't go into enough details of explaining why a particular structure repels the water. Can ...
0
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2answers
178 views

Unknown magnetic moment of orthohydrogen

Conforming to present atomic physics, the two elementary particles in hydrogen atoms can have either parallel or antiparallel magnetic moments, and the energy differences between these two kinds of ...
1
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0answers
45 views

Bond Angle in a water molecule

I recently started up reaching up on the Feynman lectures on Physics and in Vol I,Chap 1-2,Feynman states that the bond angle between the hydrogen and oxygen atom is 105° 3′. I know that the bond ...
0
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0answers
10 views

Why molecules in this potential have a common average distance $r_m$ to their neighbors?

A commonly used potential describing intermolecular interactions in liquids and real gases is the so-called Lennard-Jones potential. In this model the interaction of atoms and molecules with each ...
0
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1answer
40 views

What is “Lifetime Intensity” in photoluminescence?

I'm reading an article "Surface plasmon enhanced Förster resonance energy transfer between the CdTe quantum dots". Link The reasearchers are writing about increase in "lifetime intensity" and even ...
2
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0answers
119 views

Para and ortho hydrogen angular momentum values

In Wikipedia, it is said that: Orthohydrogen, with symmetric nuclear spin functions, can only have rotational wavefunctions that are antisymmetric with respect to permutation of the two protons. ...
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2answers
911 views

The distance between touching objects

What is the distance between, say, a cup of coffee and the table it rests on? What is the distance between two touching hands?
3
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2answers
173 views

What is the difference between the shapes of molecules with different isotopes

I'll explain my question on example of water molecule. Let us have three water molecules: normal water $H_2 O$, heavy water $D_2 O$ and semiheavy water $HDO$. Is there any difference between the ...
1
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0answers
77 views

Why is graphene the only (stable) 2D sheet structure? [duplicate]

I know that Carbon molecules can form different structures depending on how they bond with each other: graphite, diamond, graphene and fullerene. As far as I understand, graphene is just a "sheet" of ...
4
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2answers
221 views

What methods exist to calculate the density of states in the continuum of a molecule?

Say I have an arbitrary molecule in the Born-Oppenheimer approximation, and furthermore say that I can approximate the molecule as having only one active electron. What methods exist to calculate the ...