Table 5. Electron densities in (e/au3)),
their Laplacians in (e/au5), kinetic energy densities
in (a.u.), potential energy densities in (a.u.), electronic energy
densitiesin (a.u.), H-bonds energies (kcal/mol-1) at
BCPs of H-bonds in the conjugate bases of methyl-pentose sugars
optimized at B3LYP/6-311++G(d,p) level . |
Table 5. Electron
densities in (e/au3)), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densitiesin (a.u.),
H-bonds energies (kcal/mol-1) at BCPs of H-bonds in
the conjugate bases of methyl-pentose sugars optimized at
B3LYP/6-311++G(d,p) level . |
Table 5. Electron densities in
(e/au3)), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densitiesin (a.u.),
H-bonds energies (kcal/mol-1) at BCPs of H-bonds in
the conjugate bases of methyl-pentose sugars optimized at
B3LYP/6-311++G(d,p) level . |
Table 5. Electron densities in
(e/au3)), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densitiesin (a.u.),
H-bonds energies (kcal/mol-1) at BCPs of H-bonds in
the conjugate bases of methyl-pentose sugars optimized at
B3LYP/6-311++G(d,p) level . |
Table 5. Electron densities in
(e/au3)), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densitiesin (a.u.),
H-bonds energies (kcal/mol-1) at BCPs of H-bonds in
the conjugate bases of methyl-pentose sugars optimized at
B3LYP/6-311++G(d,p) level . |
Table 5. Electron densities in
(e/au3)), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densitiesin (a.u.),
H-bonds energies (kcal/mol-1) at BCPs of H-bonds in
the conjugate bases of methyl-pentose sugars optimized at
B3LYP/6-311++G(d,p) level . |
Table 5. Electron densities in
(e/au3)), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densitiesin (a.u.),
H-bonds energies (kcal/mol-1) at BCPs of H-bonds in
the conjugate bases of methyl-pentose sugars optimized at
B3LYP/6-311++G(d,p) level . |
Table 5. Electron densities in
(e/au3)), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densitiesin (a.u.),
H-bonds energies (kcal/mol-1) at BCPs of H-bonds in
the conjugate bases of methyl-pentose sugars optimized at
B3LYP/6-311++G(d,p) level . |
Table 5. Electron densities in
(e/au3)), their Laplacians in
(e/au5), kinetic energy densities in (a.u.), potential
energy densities in (a.u.), electronic energy densitiesin (a.u.),
H-bonds energies (kcal/mol-1) at BCPs of H-bonds in
the conjugate bases of methyl-pentose sugars optimized at
B3LYP/6-311++G(d,p) level . |