Spectroscopic behavior, FMO, NLO and NBO analysis of two novel aryl boronic acid derivatives: Experimental and theoretical insights

Linear solvation energy relationships. 23. A comprehensive collection of the solvatochromic parameters, .pi.*, .alpha., and .beta., and some methods for simplifying the generalized solvatochromic equation

Mortimer J. Kamlet, J.‐L. M. Abboud, Michael H. Abraham et al. · The Journal of Organic Chemistry · 1983 · 3.6K citations

Natural Sciences, Chemistry, Mathematics +14

Palladium-Catalyzed, Direct Boronic Acid Synthesis from Aryl Chlorides: A Simplified Route to Diverse Boronate Ester Derivatives

Gary A. Molander, Sarah L. J. Trice, Spencer D. Dreher · Journal of the American Chemical Society · 2010 · 269 citations

Natural Sciences, Chemistry, Catalysis +12

Excited-state dipole moments of some Coumarin dyes from a solvatochromic method using the solvent polarity parameter, E N T

T. Soujanya, Anunay Samanta, T. P. Radhakrishnan · Journal of the Chemical Society Faraday Transactions · 1995 · 224 citations

Natural Sciences, Chemistry, Physics +17

A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H-indol-5-carboxylate

Ruchi Srivastava, Fatmah A. M. Al-Omary, Ali A. El‐Emam et al. · Journal of Molecular Structure · 2017 · 100 citations

Natural Sciences, Chemistry, Physics +17

Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO-LUMO and NLO properties of O-methoxybenzaldehyde based on DFT calculations

P. Vennila, M. Govindaraju, G. Venkatesh et al. · Journal of Molecular Structure · 2016 · 97 citations

Natural Sciences, Chemistry, Physics +17