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Top Articles

#TitleJournalYearPR Citations
1The Cologne Database for Molecular Spectroscopy, CDMS: a useful tool for astronomers and spectroscopistsJournal of Molecular Structure20051,596
2Inorganic electronic spectroscopyJournal of Molecular Structure1972945
3Synthesis and characterization by FTIR spectroscopy of silica aerogels prepared using several Si(OR)4 and R′′Si(OR′)3 precursorsJournal of Molecular Structure2009825
4Interaction of drugs with bovine and human serum albuminJournal of Molecular Structure2002817
5Molvib - A flexible program for force field calculationsJournal of Molecular Structure1990681
6Physics of shock waves and high-temperature hydrodynamic phenomenaJournal of Molecular Structure1970660
7Materials selection guidelines for membranes that remove CO2 from gas mixturesJournal of Molecular Structure2005651
8Towards an unified hydrogen-bond theoryJournal of Molecular Structure2000601
9Fluorescence quenching and ligand binding: A critical discussion of a popular methodologyJournal of Molecular Structure2011595
10Non-ideal effects in organic–inorganic materials for gas separation membranesJournal of Molecular Structure2005539
11MicroScale Thermophoresis: Interaction analysis and beyondJournal of Molecular Structure2014526
12An over review on recently developed techniques, mechanisms and intermediate involved in the advanced azo dye degradation for industrial applicationsJournal of Molecular Structure2021491
13Solvent effects on the photochemical and fluorescence properties of zinc phthalocyanine derivativesJournal of Molecular Structure2003485
14Geometry optimization by direct inversion in the iterative subspaceJournal of Molecular Structure1984482
15The hydrogen bond network in I β cellulose as observed by infrared spectrometryJournal of Molecular Structure2000467
16Structure and barrier of internal rotation of biphenyl derivatives in the gaseous stateJournal of Molecular Structure1985466
17Studies of interaction between colchicine and bovine serum albumin by fluorescence quenching methodJournal of Molecular Structure2005458
18Spectroscopic studies on the interaction of cinnamic acid and its hydroxyl derivatives with human serum albuminJournal of Molecular Structure2004453
19The chemist's companionJournal of Molecular Structure1973450
20Crystal and molecular structure of 4-carboxypiperidinium chloride (4-piperidinecarboxylic acid hydrochloride)Journal of Molecular Structure2007441
21Investigation of the interaction between flavonoids and human serum albuminJournal of Molecular Structure2004414
22Structural and electronic contributions to hyperpolarizability in methyl p-hydroxy benzoateJournal of Molecular Structure2006401
23Green synthesis and characterization of zinc oxide nanoparticles with antibacterial and antifungal activityJournal of Molecular Structure2020387
24Stability and structural features of DNA intercalation with ethidium bromide, acridine orange and methylene blueJournal of Molecular Structure2007386
25The dielectric response of simple organic glass formersJournal of Molecular Structure1999383
26FTIR and XRD evaluation of carbonated hydroxyapatite powders synthesized by wet methodsJournal of Molecular Structure2005380
27Average structures of butadiene, acrolein, and glyoxal determined by gas electron diffraction and spectroscopyJournal of Molecular Structure1968377
28The effects of magnetic fields on water molecular hydrogen bondsJournal of Molecular Structure2009375
29The microwave spectrum, structure and dipole moment of anilineJournal of Molecular Structure1974363
30DFT studies on vibrational and electronic spectra, HOMO–LUMO, MEP, HOMA, NBO and molecular docking analysis of benzyl-3-N-(2,4,5-trimethoxyphenylmethylene)hydrazinecarbodithioateJournal of Molecular Structure2020361
31Structural, magnetic, dielectric and optical properties of nickel ferrite nanoparticles synthesized by co-precipitation methodJournal of Molecular Structure2014357
32Periodic potential functions for pseudorotation and internal rotationJournal of Molecular Structure1972356
33Molecular structure of benzeneJournal of Molecular Structure1976348
34IR-analysis of H-bonded H2O on the pure TiO2 surfaceJournal of Molecular Structure2004331
35Stretching frequency versus bond distance correlation of OD(H)⋯Y (Y  N, O, S, Se, Cl, Br, I) hydrogen bonds in solid hydratesJournal of Molecular Structure1986317
36Evaluation of morphological and chemical aspects of different wood species by spectroscopy and thermal methodsJournal of Molecular Structure2011313
37Borate glass structure by Raman and infrared spectroscopiesJournal of Molecular Structure1991312
38The structure and properties of waterJournal of Molecular Structure1970310
39Infrared spectra of surface hydroxyl groups and crystalline structure of oxidesJournal of Molecular Structure1973305
40Raman, mid-infrared, near-infrared and ultraviolet–visible spectroscopy of PDMS silicone rubber for characterization of polymer optical waveguide materialsJournal of Molecular Structure2010304
41Influence of magnetic field on physical–chemical properties of the liquid water: Insights from experimental and theoretical modelsJournal of Molecular Structure2008303
42Improving copper(II) ion detection and adsorption from wastewater by the ligand-functionalized composite adsorbentJournal of Molecular Structure2023300
43Phase transitions in the system poly(N-isopropylacrylamide)/water and swelling behaviour of the corresponding networksJournal of Molecular Structure2000298
44Study of the interaction between icariin and human serum albumin by fluorescence spectroscopyJournal of Molecular Structure2008294
45The synaptic order: a key concept to understand multicenter bondingJournal of Molecular Structure2002290
46Assessing sustainable Lutetium(III) ions adsorption and recovery using novel composite hybrid nanomaterialsJournal of Molecular Structure2023289
47Temperature dependence of the optical constants for liquid H2O and D2O in the far IR regionJournal of Molecular Structure1995288
48Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenolJournal of Molecular Structure2015288
49A computational study on corrosion inhibition performances of novel quinoline derivatives against the corrosion of ironJournal of Molecular Structure2017288
50Frontier Orbitals and Organic Chemical ReactionsJournal of Molecular Structure1979276