Table 6. Electron densitiesin (e/au3), their
Laplacians in (e/au5), kinetic energy densities in
(a.u.), potential energy densities in (a.u.), electronic energy
densities in (a.u.), H-bonds energies (kcal.mol-1) at
BCPs of H-bonds in the conjugate bases of aldo-pentose optimized at
B3LYP/6-311++G(d,p) level.
Table 6. Electron densitiesin
(e/au3), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densities in (a.u.),
H-bonds energies (kcal.mol-1) at BCPs of H-bonds in
the conjugate bases of aldo-pentose optimized at B3LYP/6-311++G(d,p)
level.
Table 6. Electron densitiesin
(e/au3), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densities in (a.u.),
H-bonds energies (kcal.mol-1) at BCPs of H-bonds in
the conjugate bases of aldo-pentose optimized at B3LYP/6-311++G(d,p)
level.
Table 6. Electron densitiesin
(e/au3), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densities in (a.u.),
H-bonds energies (kcal.mol-1) at BCPs of H-bonds in
the conjugate bases of aldo-pentose optimized at B3LYP/6-311++G(d,p)
level.
Table 6. Electron densitiesin
(e/au3), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densities in (a.u.),
H-bonds energies (kcal.mol-1) at BCPs of H-bonds in
the conjugate bases of aldo-pentose optimized at B3LYP/6-311++G(d,p)
level.
Table 6. Electron densitiesin
(e/au3), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densities in (a.u.),
H-bonds energies (kcal.mol-1) at BCPs of H-bonds in
the conjugate bases of aldo-pentose optimized at B3LYP/6-311++G(d,p)
level.
Table 6. Electron densitiesin
(e/au3), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densities in (a.u.),
H-bonds energies (kcal.mol-1) at BCPs of H-bonds in
the conjugate bases of aldo-pentose optimized at B3LYP/6-311++G(d,p)
level.
Table 6. Electron densitiesin
(e/au3), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densities in (a.u.),
H-bonds energies (kcal.mol-1) at BCPs of H-bonds in
the conjugate bases of aldo-pentose optimized at B3LYP/6-311++G(d,p)
level.
Table 6. Electron densitiesin
(e/au3), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densities in (a.u.),
H-bonds energies (kcal.mol-1) at BCPs of H-bonds in
the conjugate bases of aldo-pentose optimized at B3LYP/6-311++G(d,p)
level.