화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Molecular structure, vibrational spectroscopic and chemical reactivity of nematogenic p-n-alkylbenzoic acids: A comparative computational analysis
Prasad S, Ojha DP
Molecular Crystals and Liquid Crystals, 665(1), 52, 2018
2 Optimized molecular geometries, vibrational spectra, and frontier molecular orbital of fluorinated liquid crystals- a comparative quantum chemical calculations
Prasad S, Ojha DP
Molecular Crystals and Liquid Crystals, 669(1), 12, 2018
3 Structural description, spectral analysis and reactivity descriptors of nematogens containing cyano group- a comparative quantum chemical computational approach
Prasad S, Ojha DP
Molecular Crystals and Liquid Crystals, 669(1), 61, 2018
4 Vibrational spectra, electronic properties and effect of alkyl chain length on chemical stability of nematogens - A comparision using DFT and HF methods
Prasad S, Ojha DP
Molecular Crystals and Liquid Crystals, 658(1), 69, 2017