Ab initio and density functional computations of the vibrational spectrum, molecular geometry and some molecular properties of the antidepressant drug sertraline (Zoloft) hydrochloride

2007 ◽  
Vol 66 (2) ◽  
pp. 405-412 ◽  
Author(s):  
Seda Sagdinc ◽  
Fatma Kandemirli ◽  
Sevgi Haman Bayari
Keyword(s):  
Vibrational Spectrum ◽  
Ab Initio ◽  
Density Functional ◽  
Antidepressant Drug ◽  
Molecular Geometry ◽  
Molecular Properties ◽  
Density Functional Computations

The vibrational spectrum of camphor from ab initio and density functional theory and parity violation in the C–C*–CO bending mode

2004 ◽  
Vol 383 (5-6) ◽  
pp. 496-501 ◽  
Author(s):  
Peter Schwerdtfeger ◽  
Andreas Kühn ◽  
Radovan Bast ◽  
Jon K. Laerdahl ◽  
Francesco Faglioni ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Vibrational Spectrum ◽  
Ab Initio ◽  
Parity Violation ◽  
Density Functional ◽  
Functional Theory ◽  
Bending Mode
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