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Articles 1 - 6 of 6
Full-Text Articles in Chemistry
On The Exact Helium Wave Function Expansion, Ii, An Exponential Modulated Form, Carl W. David
On The Exact Helium Wave Function Expansion, Ii, An Exponential Modulated Form, Carl W. David
Chemistry Education Materials
A 11S wave function’s expansion for 2 electron atoms and ions is proposed employing an appropriate exponential factor and Fock’s logarithmic terms. The leading coefficient’s are presented.
Modeling Accuracy Matters: Aligning Molecular Dynamics With 2d Nmr Derived Noe Restraints, Milan Patel
Modeling Accuracy Matters: Aligning Molecular Dynamics With 2d Nmr Derived Noe Restraints, Milan Patel
Honors Scholar Theses
Among structural biology techniques, Nuclear Magnetic Resonance (NMR) provides a holistic view of structure that is close to protein structure in situ. Namely, NMR imaging allows for the solution state of the protein to be observed, derived from Nuclear Overhauser Effect restraints (NOEs). NOEs are a distance range in which hydrogen pairs are observed to stay within range of, and therefore experimental data which computational models can be compared against. To that end, we investigated the effects of adding the NOE restraints as distance restraints in Molecular Dynamics (MD) simulations on the 24 residue HP24stab derived villin headpiece subdomain to …
H-Atom Ladder Operator Revisited, Carl W. David
H-Atom Ladder Operator Revisited, Carl W. David
Chemistry Education Materials
An error laden note (Am. J. Phys., 34, 984,(1966)) concerning the ladder operator solution to the hydrogen atom electronic energy levels is corrected.
Infra-Red Microwave Spectra, Overtones, Degeneracy And Thermal Populations All In One Diagram, Carl W. David
Infra-Red Microwave Spectra, Overtones, Degeneracy And Thermal Populations All In One Diagram, Carl W. David
Chemistry Education Materials
An old drawing, which had an error in it, is re-presented (corrected) for understanding the relationships in diatomic vibrational-rotational interactions at the introductory level.
Plotting The Van Der Waals Fluid In Pseudo-3d And The Maxwell Construction, Carl W. David
Plotting The Van Der Waals Fluid In Pseudo-3d And The Maxwell Construction, Carl W. David
Chemistry Education Materials
The van der Waals (from his thesis of 1873) equation is a cubic in the molar volume. Plotting the equation in pseudo 3 dimensions is quite simple to do, but including tie lines is quite difficult. Employing the solutions to the cubic van der Waals equation, the tie lines are readily available and can be easily incorporated into the aforementioned 3D plots.
A Review Of Helium Hamiltonians, Carl W. David
A Review Of Helium Hamiltonians, Carl W. David
Chemistry Education Materials
Helium Hamiltonian transformations are discussed in extreme detail.