ChemInform Abstract: Spectra and Structure of Organophosphorus Compounds. Part 49. Microwave, IR, and Raman Spectra, Electric Dipole Moment, Molecular Structure, and ab initio Calculations of Dimethylphosphonothioic Fluoride.

ChemInform ◽  
2010 ◽  
Vol 26 (15) ◽  
pp. no-no
Author(s):  
K. K. CHATTERJEE ◽  
J. R. DURIG
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Organophosphorus Compounds ◽  
Ir And Raman Spectra ◽  
Ir And Raman

Electric (Hyper) Polarizability of the Hypofluorous Acid (HOF) from High-Level ab initio Calculations with Especially Designed Purpose-Oriented Basis Sets

2016 ◽  
Vol 230 (5-7) ◽  
Author(s):  
George Maroulis
Keyword(s):  
Dipole Moment ◽  
Finite Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Basis Sets ◽  
High Level

AbstractThe electric dipole moment, polarizability, first and second dipole hyperpolarizability of HOF were determined via finite-field calculations with

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