A combination of neutron diffraction augmented with isotopic substitution and computer modeling using empirical potential structure refinement has been used to extract detailed structural information for L-glutamic acid dissolved in 2 M NaOH solution. This work shows that the tetrahedral hydrogen bonding network in water is severely disrupted by the addition of glutamic acid and NaOH, with the ...

Using as an example the simplest case of a hydrogen molecule, the basis of the highly oversimplified Hubbard model is presented. This model attempts to understand the physics of both insulating and metallic systems in a unified picture, especially those metallic systems which include transition metals. The results of the analysis are compared with those obtained from independent electrons (delo...

It would be convenient if gigantic reservoirs of molecular hydrogen H2(g) existed in the earth’s crust that could be safely tapped as an energy source. Instead, most hydrogen found near the earth’s surface is bound up in water as protons, H(aq) that must be reduced before utilization as a fuel (1). When the electrons for proton reduction come from the oxidation of water to O2(g), this redox che...

In homonuclear molecules, such as H2, the electric dipole transitions are strongly forbidden, and the transitions between rovibrational states are of the electric quadrupole type. We show however, that magnetic dipole transitions also take place, although are significantly weaker. We evaluate the probabilities of such transitions between several lowest rotational states and compare them with th...

The title compound, PNU-97018 [systemic name: 2-butyl-3,6,7,8,9,11-hexahydro-6,9-dimethyl-3-([2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl)-6,9-ethano-4H-imidazo[4,5-d]-pyridazino[1,2-a]pyridazin-4-one] is a newly developed angiotensin II receptor antagonist. The compound and its methanolate and ethanolate were characterized by X-ray crystallography and thermal analysis. The methanolate and...

In homonuclear molecules, such as H2, the rovibrational levels close to the dissociation threshold do not have definite symmetry with respect to the inversion of electronic variables. This effect—the gerade–ungerade mixing—results from interactions between magnetic moments of electrons and protons. We calculate this mixing on the level of adiabatic approximation and numerically solve the system...

A new formalism for the accurate treatment of adiabatic effects in the hydrogen molecule is presented, in which the electronic wave function is expanded in the James-Coolidge basis functions. Systematic increase in the size of the basis set permits estimation of the accuracy. Numerical results for the adiabatic correction to the Born-Oppenheimer interaction energy reveal a relative precision of...

Borrowing the structures of hydrogen atom, molecular ion, and diatomic molecule, we predict nature a new type hydrogenlike charm-pion or charm-kaon matter that could be obtained by replacing proton electron in with charmed meson pion kaon, respectively. We find spectra molecule can simultaneously Coulomb potential for hydrogen, charm-pion, systems. The predicted also allows us to explore mass s...