共 179 条
- [21] Nicolle E(1997)CN J Appl Cryst 30 565-5652
- [22] Blanc M(1993)In situ growth of layered double hydroxide films on anodic aluminium oxide/aluminium and its catalytic feature in aldol condensation of acetone J Chem Phys 98 5648-490
- [23] Geze A(1988)ORTEP-3 for Windows—a version of ORTEP-III with a graphical user interface Phys Rev B 37 785-1000
- [24] Choisnard L(2009)Density-functional thermochemistry III the role of exact exchange Ind J Pure Appl Phys 47 481-533
- [25] Wouessidjewe D(1984)Development of Colle–Salvetti correlation-energy formula into a functions of the electron density Phys Rev Lett 52 997-354
- [26] Matera EL(2017)Molecular structure, vibrational spectroscopic studies and analysis of 2-fluoro-5-methylbenzonitrile J Mol Struct 1128 520-148
- [27] Dumontet C(2017)Density-functional theory for time dependent system Spectrochim Acta Part A Mol Biomol Spectrosc 184 342-324
- [28] Kumar D(2012)Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, 1H and 13C NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, (E)-1-(4-bromophenyl)-3-(4-iodophenyl)prop-2-en-1-one Spectrochima Acta Part A 89 137-128
- [29] Kumar NM(2008)Molecular structure, second and third-order nonlinear optical properties and DFT studies of a novel non-centrosymmetric chalcone derivative: (2E)-3-(4-fluorophenyl)-1-(4-{[(1E)-(4-fluorophenyl)methylene]amino}phenyl)prop-2-en-1-one J Chem Sci 120 315-240
- [30] Akamatsu K(2016)FT-IR, FT-Raman, ab-initio HF and DFT study, NBO, HOMO–LUMO and electronic structure calculation on 4-chloro-3-nitrotolune Der Pharma Chem 8 119-342