Ab Initio Study and Its Comparison with X-ray Crystal Structure of 4-[1-(4-Chloro-phenylamino)-ethyl] 5-methyl-2-p-tolyl-2,4-dihydro-pyrazol-3-one

By Jadeja R.   Shirsat R.   Suresh E.  

Structural Chemistry, Vol. 16, Iss. 5, 2005-10 ,pp. : 515-520

Springer Publishing Company

Access to resources Recommend Favorite

Ab initio study of the low‐pressure phases of Ti3O5

By  

PHYSICA STATUS SOLIDI (B) BASIC SOLID STATE PHYSICS, Vol. 252, Iss. 4, 2015-04 ,pp. : 659-662

John Wiley & Sons Inc

Access to resources Recommend Favorite

Ab initio study of the tautomerism of 2,5-substituted diazoles

By Enchev Venelin   Angelova Silvia  

Structural Chemistry, Vol. 21, Iss. 5, 2010-10 ,pp. : 1053-1060

Springer Publishing Company

Access to resources Recommend Favorite

The formation and isomerization of 3-amino-2-butenenitrile (diacetonitrile) and its anion, followed by IR spectra, ab initio and DFT force field calculations

By Novkova S.I.   Georgieva M.K.   Binev Y.I.   Petkov C.T.   Binev I.G.  

Journal of Molecular Structure: THEOCHEM, Vol. 636, Iss. 1, 2003-09 ,pp. : 167-183

Elsevier

Access to resources Recommend Favorite

Crystal structure and linear-dichroic infrared (IR-LD) spectral analysis of N,N′-diethyl-4-vinylbenzamidinium squarate

By Kolev Ts.   Koleva B.   Emgenbroich M.   Spiteller M.   Sheldrick W.   Mayer-Figge H.  

Structural Chemistry, Vol. 17, Iss. 6, 2006-12 ,pp. : 631-637

Springer Publishing Company

Access to resources Recommend Favorite