In view of the importance of understanding vapor phase water molecules and clusters in the presence of pre-existing aerosols, the stability of water clusters as a function of size is studied by evaluating the hydrogen-bond energy per bond, based on our modified quantum chemical approach using the semi-empirical method known as MNDO. The relevance of our present study to atmospherically and environmentally important gas-to-particle conversion processes is stressed
Ab initio and DFT computations were carried out on four distinct hydrogen-bonded arrangements of wat...
We present a combined quantum chemical and molecular dynamics study of cyclic and noncyclic water n-...
Johnston, Murray V.The goal of this dissertation is to gain a more complete understanding of the che...
Employing a modified MNDO treatment, the hydrogen-bond energies of large water clusters are computed...
Progress on a variety of atmospheric problems requires a successful first-principles treatment of wa...
Formation of new particles through clustering of molecules from condensable vapors is a significant ...
While previously, atmospheric chemists focused their attention on gas-phase processes, they are now ...
In the atmosphere, water in all phases is ubiquitous and plays important roles in catalyzing atmosph...
Airborne ions created by cosmic rays and earth radioactivity can be subject to hydration. Hydrated i...
Structure and stability of clusters in the ground state were analyzed at the theoretical and experi...
Hydration directly affects the mobility, thermodynamic properties, lifetime and nucleation rates of ...
The hydrogen bonds appearing between water molecules in a series of clusters have been analysed by a...
Thermodynamically stable small clusters of oxalic acid (CO<sub>2</sub>H)<sub>2</sub>, ammonia (NH<su...
The influence of phase changes on structural parameters of water was researched by method of laser e...
How secondary aerosols form is critical as aerosols\u27 impact on Earth\u27s climate is one of the m...
Ab initio and DFT computations were carried out on four distinct hydrogen-bonded arrangements of wat...
We present a combined quantum chemical and molecular dynamics study of cyclic and noncyclic water n-...
Johnston, Murray V.The goal of this dissertation is to gain a more complete understanding of the che...
Employing a modified MNDO treatment, the hydrogen-bond energies of large water clusters are computed...
Progress on a variety of atmospheric problems requires a successful first-principles treatment of wa...
Formation of new particles through clustering of molecules from condensable vapors is a significant ...
While previously, atmospheric chemists focused their attention on gas-phase processes, they are now ...
In the atmosphere, water in all phases is ubiquitous and plays important roles in catalyzing atmosph...
Airborne ions created by cosmic rays and earth radioactivity can be subject to hydration. Hydrated i...
Structure and stability of clusters in the ground state were analyzed at the theoretical and experi...
Hydration directly affects the mobility, thermodynamic properties, lifetime and nucleation rates of ...
The hydrogen bonds appearing between water molecules in a series of clusters have been analysed by a...
Thermodynamically stable small clusters of oxalic acid (CO<sub>2</sub>H)<sub>2</sub>, ammonia (NH<su...
The influence of phase changes on structural parameters of water was researched by method of laser e...
How secondary aerosols form is critical as aerosols\u27 impact on Earth\u27s climate is one of the m...
Ab initio and DFT computations were carried out on four distinct hydrogen-bonded arrangements of wat...
We present a combined quantum chemical and molecular dynamics study of cyclic and noncyclic water n-...
Johnston, Murray V.The goal of this dissertation is to gain a more complete understanding of the che...