[1] [1] SINDHUJA D, GOPIRAMAN M, VASANTHAKUMAR P, et al. Ruthenium-p-cymene complexes with acylthiourea, and its heterogenized form on graphene oxide act as catalysts for the synthesis of quinoxaline derivatives［J］. Journal of Organometallic Chemistry, 2021, 949: 121933.

[2] [2] TURCK A, PL N, MONGIN F, et al. Advances in the directed metallation of azines and diazines (pyridines, pyrimidines, pyrazines, pyridazines, quinolines, benzodiazines and carbolines). Part 2: metallation of pyrimidines, pyrazines, pyridazines and benzodiazines［J］. Tetrahedron, 2001, 57(21): 4489-4505.

[3] [3] PEREIRA J A, PESSOA A M, CORDEIRO M N D S, et al. Quinoxaline, its derivatives and applications: a state of the art review［J］. European Journal of Medicinal Chemistry, 2015, 97: 664-672.

[4] [4] YANG Y C, ZHANG S Z, WU B B, et al. An efficient synthesis of quinoxalinone derivatives as potent inhibitors of aldose reductase［J］. ChemMedChem, 2012, 7(5): 823-835.

[5] [5] WANG J F. Synthesis and fungicidal activity of 2-aryl(or 2-arylmethyl)pyrazinonoquinazoline compounds［D］. Xiangtan: Hunan University of Science and Technology, 2022 (in Chinese).

[6] [6] CIVALLERI B, ZICOVICH-WILSON C M, VALENZANO L, et al. B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals［J］. CrystEngComm, 2008, 10(4): 405-410.

[7] [7] TIRADO-RIVES J, JORGENSEN W L. Performance of B3LYP density functional methods for a large set of organic molecules［J］. Journal of Chemical Theory and Computation, 2008, 4(2): 297-306.

[8] [8] YE W J, CHEN Y M, CHEN D M, et al. Crystal structure and density functional theory of 5-bromo-2-(4-methylpiperidin-1-yl) pyrimidine［J］. Journal of Synthetic Crystals, 2021, 50(11): 2116-2122 (in Chinese).

[9] [9] ZURAWSKI A, MAI M, BAUMANN D, et al. Homoleptic imidazolate frameworks 3∞［Sr1-xEux(Im)2］—hybrid materials with efficient and tuneable luminescence［J］. Chemical Communications, 2011, 47(1): 496-498.

[10] [10] LIU X X, LIAO T H, YE W J, et al. Synthesis, crystal structure, DFT calculations and vibrational properties of 1-(2-bromo-4-(dimethylamino)phenyl)-4-(2-chlorobenzyl)-［1, 2, 4］triazolo［4, 3-a］quinazolin-5(4H)-one［J］. Molecular Crystals and Liquid Crystals, 2023, 754(1): 31-42.

[11] [11] SINGH J S. IR and Raman spectra with Gaussian-09 molecular analysis of some other parameters and vibrational spectra of 5-fluoro-uracil［J］. Research on Chemical Intermediates, 2020, 46(5): 2457-2479.

[12] [12] ZAYED E M, ZAYED M A, ABD EL SALAM H A, et al. Synthesis, structural characterization, density functional theory (B3LYP) calculations, thermal behaviour, docking and antimicrobial activity of 4-amino-5-(heptadec-8-en-1-yl)-4H-1, 2, 4-triazole-3-thiol and its metal chelates［J］. Applied Organometallic Chemistry, 2018, 32(12): e4535.

[13] [13] REN Q, LIU Y, GAO T, et al. Crystal structure and density functional theory of 2, 2-bis(4-chloro-2-fluorobenzyl) diethyl malonate［J］. Journal of Synthetic Crystals, 2021, 50(2): 338-344 (in Chinese).

[14] [14] LUO D L, MA L L, ZHOU Z X, et al. Synthesis, single crystal X-ray analysis, and vibrational spectral studies of ethyl 6-bromo-5-((5-bromopyrimidin-2-yl)oxy)-2-((2, 6-dimethylmorpholino)methyl)-1-methyl-1H-indole-3-carboxylate［J］. Journal of Molecular Structure, 2019, 1198: 126857.

[15] [15] LIU K, TONG H N, SUN Z X, et al. Integrating FPGA-based hardware acceleration with relational databases［J］. Parallel Computing, 2024, 119: 103064.

[16] [16] CHEN D M, CHEN Y M, WU Q M, et al. Crystal structure and density functional theory of 3-tert-butyl-1-(3-hydroxyphenyl)urea［J］. Journal of Synthetic Crystals, 2021, 50(3): 523-529 (in Chinese).

[17] [17] DONNELLY-GREENAN E L, NEVINS H M, HARVEY J T. Entangled seabird and marine mammal reports from citizen science surveys from coastal California (1997-2017)［J］. Marine Pollution Bulletin, 2019, 149: 110557.

[18] [18] LIU Y, ZHAO Y L, REN Q, et al. Synthesis, crystal structure and DFT study of a novel planar bipyridyl compound 6, 6’-bis(trifluoromethyl)-3, 3’-bipyridine［J］. Journal of Molecular Structure, 2020, 1208: 127869.

[19] [19] JOHNSON B G, GILL P M W, POPLE J A. The performance of a family of density functional methods［J］. The Journal of Chemical Physics, 1993, 98(7): 5612-5626.

[20] [20] ACCETTA J S, SHUMAKER D L. The Infrared and electro-optical systems handbook［M］. Ann Arbor, Mich.: Infrared Information Analysis Center, 1993.

[21] [21] KRISHNAKUMAR V, SANGEETHA R, MATHAMMAL R, et al. Density functional theory, comparative vibrational spectroscopic studies, HOMO-LUMO, first hyperpolarizability analyses of 2-fluoro 5-nitrotoluene and 2-bromo 5-nitrotoluene［J］. Spectrochimica Acta Part A, Molecular and Biomolecular Spectroscopy, 2013, 104: 77-86.

[22] [22] ARJUNAN V, BALAMOUROUGANE P S, MYTHILI C V, et al. Experimental spectroscopic (FTIR, FT-Raman, FT-NMR, UV-Visible) and DFT studies of 2-amino-5-chlorobenzoxazole［J］. Journal of Molecular Structure, 2011, 1003(1/2/3): 92-102.

[23] [23] LI L W, CAI T C, WANG Z Q, et al. Study on molecular structure, spectroscopic investigation (IR, Raman and NMR), vibrational assignments and HOMO-LUMO analysis of L-sodium folinate using DFT: a combined experimental and quantum chemical approach［J］. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014, 120: 106-118.

[24] [24] JANG Y, KO M K, PARK Y E, et al. Effect of paclitaxel content in the DHP107 oral formulation on oral bioavailability and antitumor activity［J］. Journal of Drug Delivery Science and Technology, 2018, 48: 183-192.