Structure and stability of clusters in the ground state were analyzed at the theoretical and experimental levels. Our experimental and theoretical findings showed that the clusters in gas phase tend to form mainly planar rings of four members. The symmetry and the small dipole moment in these specific configurations suggested that their stability could be associated with an alignment of the water molecules, maximizing attractive electrostatic interactions caused by changes in the charge distribution of the clusters
The hydrogen bonds appearing between water molecules in a series of clusters have been analysed by a...
Clusters are produced during the free jet expansion of gaseous CH4, CO2 or H2O. For a given stagnati...
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrog...
Structure and stability of [(Na) ? (Phe)?]?+ clusters in the ground state were analyzed at the theor...
The influence of phase changes on structural parameters of water was researched by method of laser e...
Extensive ab initio calculations have been performed using the 6-31G(d,p) and 6-311++G(2d,2p) basis ...
Extensive ab initio calculations have been performed using the 6-31G(d,p) and 6-311++G(2d,2p) basis ...
Ab initio and DFT computations were carried out on four distinct hydrogen-bonded arrangements of wat...
In view of the importance of understanding vapor phase water molecules and clusters in the presence ...
The vibrationally averaged properties of small water clusters from the dimer to the hexamer are disc...
The authors examine the physical processes which are involved in the formation and stability of the ...
The structures of small water clusters (up to 8 molecules) have been studied using gradient-correcte...
a b s t r a c t Here we present a structural study of different gas hydrates using the B3LYP hybrid ...
A computational study of the water pentamer gas phase conformational space is reported in this Lette...
Structure, stability, and hydrogen-bonding interaction in phenol, water, and phenol-water clusters h...
The hydrogen bonds appearing between water molecules in a series of clusters have been analysed by a...
Clusters are produced during the free jet expansion of gaseous CH4, CO2 or H2O. For a given stagnati...
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrog...
Structure and stability of [(Na) ? (Phe)?]?+ clusters in the ground state were analyzed at the theor...
The influence of phase changes on structural parameters of water was researched by method of laser e...
Extensive ab initio calculations have been performed using the 6-31G(d,p) and 6-311++G(2d,2p) basis ...
Extensive ab initio calculations have been performed using the 6-31G(d,p) and 6-311++G(2d,2p) basis ...
Ab initio and DFT computations were carried out on four distinct hydrogen-bonded arrangements of wat...
In view of the importance of understanding vapor phase water molecules and clusters in the presence ...
The vibrationally averaged properties of small water clusters from the dimer to the hexamer are disc...
The authors examine the physical processes which are involved in the formation and stability of the ...
The structures of small water clusters (up to 8 molecules) have been studied using gradient-correcte...
a b s t r a c t Here we present a structural study of different gas hydrates using the B3LYP hybrid ...
A computational study of the water pentamer gas phase conformational space is reported in this Lette...
Structure, stability, and hydrogen-bonding interaction in phenol, water, and phenol-water clusters h...
The hydrogen bonds appearing between water molecules in a series of clusters have been analysed by a...
Clusters are produced during the free jet expansion of gaseous CH4, CO2 or H2O. For a given stagnati...
A random walk on the PES for (MeSH)4 clusters produced 50 structural isomers held together by hydrog...