Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution

2005 ◽  
Vol 401 (4-6) ◽  
pp. 385-392 ◽  
Author(s):  
Jacob Kongsted ◽  
Thomas Bondo Pedersen ◽  
Mikkel Strange ◽  
Anders Osted ◽  
Aage E. Hansen ◽  
...  
Keyword(s):  
Gas Phase ◽  
Propylene Oxide ◽  
Optical Rotation ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

scholarly journals Actinyl cation–cation interactions in the gas phase: an accurate thermochemical study

2019 ◽  
Vol 21 (15) ◽  
pp. 7953-7964 ◽  
Author(s):  
Rulin Feng ◽  
Eric D. Glendening ◽  
Kirk A. Peterson
Keyword(s):  
Gas Phase ◽  
Coupled Cluster ◽  
Thermochemical Study ◽  
Condensed Phases ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

Accurate coupled cluster calculations of actinyl cation–cation interactions suggest significant gas phase kinetic stabilities that correlate well with known species in condensed phases.

Coupled-cluster calculations of optical rotation

2003 ◽  
Vol 373 (5-6) ◽  
pp. 606-614 ◽  
Author(s):  
Kenneth Ruud ◽  
Philip J. Stephens ◽  
Frank J. Devlin ◽  
Peter R. Taylor ◽  
James R. Cheeseman ◽  
...  
Keyword(s):  
Optical Rotation ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations
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