Concepedia

Mesomorphic, micro-Raman and DFT studies of new calamitic liquid crystals; methyl 4-[4-(4-alkoxy benzoyloxy)benzylideneamino]benzoates

Rajib Nandi, Hemant Kumar Singh, Sachin Kumar Singh, Bachcha Singh, Ranjan K. Singh

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 37 citations · 25 references

DOI

Concepts

References

25

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

Anthony P. Scott, Leo Radom · The Journal of Physical Chemistry · 1996 · 6.7K citations

, , +14

Introduction to Liquid Crystals: Chemistry and Physics

Peter J. Collings, Michael Hird, Chung-Ping Huang · American Journal of Physics · 1998 · 631 citations

, , +12

The prediction of Raman spectra of platinum(II) anticancer drugs by density functional theory

Danuta Michalska, Rafał Wysokiński · Chemical Physics Letters · 2005 · 514 citations

, , +16