Concepedia

Design and synthesis of pyrazole, pyrazolone and 1,3,4-oxadiazole derivatives having pyrrole motif as a source of new antimicrobial and anticancer agents

Poonam Rawat, Poonam Bharati, Anshu Gautam, Mukesh Kumar, Riya Singh, Riya Singh, Anant Ram, Shipra Gautam, Amul Darwari, Akanksha Mishra

Journal of Molecular Structure · 2022 · 20 citations · 20 references

DOI

Concepts

References

20

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

, , +10

New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)

Martin Andersson, P. Uvdal · The Journal of Physical Chemistry A · 2005 · 1.6K citations

, , +12

Electric Field Modulated Nonlinear Optical Properties of Donor-Acceptor Polyenes: Sum-Over-States Investigation of the Relationship between Molecular Polarizabilities (.alpha., .beta., and .gamma.) and Bond Length Alternation

Fabienne Meyers, Seth R. Marder, Brian M. Pierce et al. · Journal of the American Chemical Society · 1994 · 871 citations

, , +17

Frequency-dependent polarizabilities and first hyperpolarizabilities of CO and H2O from coupled cluster calculations

Ove Christiansen, John F. Stanton · Chemical Physics Letters · 1999 · 232 citations

, , +15

Synthesis, biological evaluation, and SAR study of novel pyrazole analogues as inhibitors of Mycobacterium tuberculosis: Part 2. Synthesis of rigid pyrazolones

Daniele Castagnolo, Fabrizio Manetti, Marco Radi et al. · Bioorganic & Medicinal Chemistry · 2009 · 159 citations

, , +12