Monte Carlo Simulations of Small Sulfuric Acid−Water Clusters†

2001 ◽  
Vol 105 (47) ◽  
pp. 11719-11728 ◽  
Author(s):  
S. M. Kathmann ◽  
B. N. Hale
Keyword(s):  
Monte Carlo ◽  
Sulfuric Acid ◽  
Monte Carlo Simulations ◽  
Water Clusters ◽  
Acid Water

scholarly journals Binary nucleation of sulfuric acid-water: Monte Carlo simulation

1998 ◽  
Vol 108 (16) ◽  
pp. 6829-6848 ◽  
Author(s):  
I. Kusaka ◽  
Z.-G. Wang ◽  
J. H. Seinfeld
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Sulfuric Acid ◽  
Acid Water ◽  
Binary Nucleation

Structure of Sulfuric Acid–Water Clusters

2007 ◽  
pp. 214-217
Author(s):  
Martta Salonen ◽  
Ismo Napari ◽  
Hanna Vehkamäki
Keyword(s):  
Sulfuric Acid ◽  
Water Clusters ◽  
Acid Water

Properties and Atmospheric Implication of Methylamine–Sulfuric Acid–Water Clusters

2015 ◽  
Vol 119 (32) ◽  
pp. 8657-8666 ◽  
Author(s):  
Sha-Sha Lv ◽  
Shou-Kui Miao ◽  
Yan Ma ◽  
Miao-Miao Zhang ◽  
Yang Wen ◽  
...  
Keyword(s):  
Sulfuric Acid ◽  
Water Clusters ◽  
Acid Water

Monte Carlo simulations of water clusters on a parallel computer using an ab initio potential

1997 ◽  
Vol 267 (1-2) ◽  
pp. 105-110 ◽  
Author(s):  
E.V. Akhmatskaya ◽  
M.D. Cooper ◽  
N.A. Burton ◽  
A.J. Masters ◽  
I.H. Hillier
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Water Clusters ◽  
Parallel Computer

Diffusion Monte Carlo simulations of methanol–water clusters

1999 ◽  
Vol 301 (3-4) ◽  
pp. 275-280 ◽  
Author(s):  
Jaime L Iosue ◽  
David M Benoit ◽  
David C Clary
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Water Clusters ◽  
Diffusion Monte Carlo

The Structure of Hydroxylamine – Water Mixtures

1995 ◽  
Vol 50 (2-3) ◽  
pp. 263-273 ◽  
Author(s):  
Sergi Vizoso ◽  
Bernd M. Rode
Keyword(s):  
Monte Carlo ◽  
Hydrogen Bonding ◽  
Angular Distribution ◽  
Aqueous Solutions ◽  
Monte Carlo Simulations ◽  
Coordination Number ◽  
Water Clusters ◽  
Pure Water ◽  
Distribution Functions ◽  
Pair Energy

Abstract Monte Carlo simulations have been carried our for 5, 25, 50, and 75 weight% aqueous solutions of hydroxylamine. Changes in the microstructure of the solutions have been evaluated by means of radial and angular distribution functions, coordination number distributions and pair energy anal­ysis. The structure of liquid hydroxylamine is strongly altered by even small amounts of water, whereas water clusters similar to the pure water are maintained up to higher NH2OH concentra­tions. The structural entities in the mixtures are determined by hydrogen bonding and electrostatic arrangement of ligands.

Trimethylamine/Sulfuric Acid/Water Clusters: A Matrix Isolation Infrared Study

2014 ◽  
Vol 118 (6) ◽  
pp. 1004-1011 ◽  
Author(s):  
Mark Rozenberg ◽  
Aharon Loewenschuss ◽  
Claus J. Nielsen
Keyword(s):  
Sulfuric Acid ◽  
Water Clusters ◽  
Matrix Isolation ◽  
Acid Water ◽  
Infrared Study
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