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Questions related to Quantum Mechanics
I have performed MD simulation run using GROMACS for a mutant protein (50ns), now to analyze trajectories generated for PCA, RMSD, RMSF value and other calculation studies, how can I proceed?
05 November 2018 2,862 9 View
The intensity of ionization spectra can be approximated by Franck-Condon Factors (FCF), Dyson norms etc. As far as I know they are mostly used in single ionization PES. I was wondering is there...
24 October 2018 5,769 2 View
Imagine that a quantum object, what we call (non-rigorously) a "particle", is described by a wave-function which is non-null in two regions of the space, but in between it is null. Could it be...
19 October 2018 5,027 50 View
Assume that an atom is irradiated with photons of energy E0, fit for raising an electron to a level of energy zero - recall that the bound levels in atoms are negative, s.t. a level of energy zero...
12 October 2018 9,562 31 View
Dear All, What particle is streaming inside the magnetic field lines? or else what is the gauge Boson force carrier particle constituting a magnetic field? And by that I mean a static magnetic...
12 October 2018 3,725 89 View
Hello all. I am a synthetic inorganic chemist who worked on gold clusters for application in heterogeneous catalysis during my PhD few years ago. Now I am trying to learn some computational...
14 September 2018 9,668 3 View
Quantum mechanics have many real time applications and passed many tests. even though many scholars, philosophers disagree with quantum mechanics and even Einstein had not accepted it..... why...
10 September 2018 1,102 70 View
Dear fellow researchers, I have performed a transition state search for a suggested reaction coordinate at B3LYP/6-311+G** and was able to identify and confirm both the reactant and products...
02 September 2018 4,193 9 View
In the output result, I found that HOMO and LUMO energies were too high. I wonder what is the problem in here. Please check attached files. In first file, NPREO was used to print homo-1, homo,...
24 August 2018 7,972 7 View
I was able to model the first step of proposed hydrolysis mechanism (Koshland et al.) for a cyanogenic beta glucoside and couple of its analogs including a alpha anomer. I identified the...
18 August 2018 8,519 3 View
Focus should be more on energy, reactor, and environment, please.
15 August 2018 3,580 4 View
The old theory of optical power coupling between two waveguides – introduced in the 1960s – is not supported by any physical process, relying instead on a perturbation of the cladding. This...
13 August 2018 358 0 View
The Libtissue framework was developed to aid researchers implement AIS algorithms.
11 August 2018 2,607 2 View
I want to standardize a method in gaussian. For that i am looking for a set of benchmark reactions which cover most possibilities like bond saturation, decomposition, deoxygenation,...
02 August 2018 5,001 3 View
On dark matter, dark energy and the Chinese Go model of cosmos evolution Abstract In addition to the known universal gravitation，electromagnetic interaction，strong interaction and weak...
31 July 2018 3,823 3 View
1. I have been wondering if the state of a quantum system (n) could be represented with a non-integer. I saw a lecture note recently where it was claimed that there is actually no reason why this...
30 July 2018 8,115 21 View
In most articles I have seen that derivation is only done to the first order correction in the energy eigenvalues for the case of time independent degenerate perturbation.
27 July 2018 9,763 3 View
Quantum mechanics
27 July 2018 2,392 6 View
If we consider the electron going closer and closer of the proton, the first motion to take place is linear, then progressively a circular one takes place. Why the linear motion will disappears?...
01 July 2018 9,267 40 View
My question is posed in two ways: A. Within the effort to extend the Ghirardi-Rimini-Weber to become a relativistic theory, many trials were made. In one of the articles engaging in this...
18 June 2018 8,153 99 View
According to relativity, information can not be transported at a speed higher than that of light. Therefore, it is important to know if there are physical objects that can not transport...
15 June 2018 8,285 16 View
kindly help me in this essay " According to Dasgupta and Gupta “The increasing turbulence in the external business environment has focused attention on the resources and organizational...
13 June 2018 1,148 1 View
The standard form of the quantum mechanics (SQM) is considered by many people unsatisfactory, as it leaves many open questions. The fact that it contradicts the classical physics, both Newtonian...
08 June 2018 772 88 View
I am attempting to visualize the imaginary frequency of a non-reacting, structurally-optimized molecule in VASP in order to reach a local minima (zero imaginary frequencies). My issue relates to...
06 June 2018 1,937 3 View