# | Title | Journal | Year | Citations |
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1 | A modified single solution method for the determination of phosphate in natural waters | Analytica Chimica Acta | 1962 | 16,980 |
2 | NMRPipe: A multidimensional spectral processing system based on UNIX pipes | Journal of Biomolecular NMR | 1995 | 14,090 |
3 | PLS-regression: a basic tool of chemometrics | Chemometrics and Intelligent Laboratory Systems | 2001 | 7,224 |
4 | Partial least-squares regression: a tutorial | Analytica Chimica Acta | 1986 | 5,927 |
5 | An approach to correlate tandem mass spectral data of peptides with amino acid sequences in a protein database | Journal of the American Society for Mass Spectrometry | 1994 | 5,912 |
6 | Hartree-Slater subshell photoionization cross-sections at 1254 and 1487 eV | Journal of Electron Spectroscopy and Related Phenomena | 1976 | 5,512 |
7 | AQUA and PROCHECK-NMR: Programs for checking the quality of protein structures solved by NMR | Journal of Biomolecular NMR | 1996 | 4,736 |
8 | Response surface methodology (RSM) as a tool for optimization in analytical chemistry | Talanta | 2008 | 4,224 |
9 | Automatic atom type and bond type perception in molecular mechanical calculations | Journal of Molecular Graphics and Modelling | 2006 | 4,173 |
10 | The basis of anisotropic water diffusion in the nervous system - a technical review | NMR in Biomedicine | 2002 | 3,938 |
11 | Methods for in vitro evaluating antimicrobial activity: A review | Journal of Pharmaceutical Analysis | 2016 | 3,675 |
12 | Gradient-tailored excitation for single-quantum NMR spectroscopy of aqueous solutions | Journal of Biomolecular NMR | 1992 | 3,612 |
13 | Surface Plasmon Spectroscopy of Nanosized Metal Particles | Langmuir | 1996 | 3,293 |
14 | Beware of q2! | Journal of Molecular Graphics and Modelling | 2002 | 3,216 |
15 | The HITRAN 2008 molecular spectroscopic database | Journal of Quantitative Spectroscopy and Radiative Transfer | 2009 | 3,129 |
16 | Standard Normal Variate Transformation and De-Trending of Near-Infrared Diffuse Reflectance Spectra | Applied Spectroscopy | 1989 | 3,057 |
17 | Arsenic round the world: a review | Talanta | 2002 | 2,969 |
18 | NMR View: A computer program for the visualization and analysis of NMR data | Journal of Biomolecular NMR | 1994 | 2,914 |
19 | Investigation of equilibria in solution. Determination of equilibrium constants with the HYPERQUAD suite of programs | Talanta | 1996 | 2,888 |
20 | Protein and polymer analyses up tom/z 100 000 by laser ionization time-of-flight mass spectrometry | Rapid Communications in Mass Spectrometry | 1988 | 2,854 |
21 | The HITRAN2016 molecular spectroscopic database | Journal of Quantitative Spectroscopy and Radiative Transfer | 2017 | 2,840 |
22 | Protein backbone angle restraints from searching a database for chemical shift and sequence homology | Journal of Biomolecular NMR | 1999 | 2,825 |
23 | The HITRAN2012 molecular spectroscopic database | Journal of Quantitative Spectroscopy and Radiative Transfer | 2013 | 2,810 |
24 | Determination of the equivalence point in potentiometric titrations. Part II | Analyst, The | 1952 | 2,650 |
25 | Iolite: Freeware for the visualisation and processing of mass spectrometric data | Journal of Analytical Atomic Spectrometry | 2011 | 2,629 |
26 | The HITRAN 2004 molecular spectroscopic database | Journal of Quantitative Spectroscopy and Radiative Transfer | 2005 | 2,601 |
27 | Raman microspectroscopy of some iron oxides and oxyhydroxides | Journal of Raman Spectroscopy | 1997 | 2,573 |
28 | Graphene Oxide Dispersions in Organic Solvents | Langmuir | 2008 | 2,511 |
29 | Photodegradation Performance of g-C3N4 Fabricated by Directly Heating Melamine | Langmuir | 2009 | 2,435 |
30 | Formation of Titanium Oxide Nanotube | Langmuir | 1998 | 2,330 |
31 | PARAFAC. Tutorial and applications | Chemometrics and Intelligent Laboratory Systems | 1997 | 2,318 |
32 | TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts | Journal of Biomolecular NMR | 2009 | 2,305 |
33 | Box-Behnken design: An alternative for the optimization of analytical methods | Analytica Chimica Acta | 2007 | 2,226 |
34 | 1H, 13C and 15N chemical shift referencing in biomolecular NMR | Journal of Biomolecular NMR | 1995 | 2,216 |
35 | The determination of amino-acids with ninhydrin | Analyst, The | 1955 | 2,126 |
36 | The fitting and prediction of vibration-rotation spectra with spin interactions | Journal of Molecular Spectroscopy | 1991 | 2,045 |
37 | Pretreatment of Lignocellulosic Wastes to Improve Ethanol and Biogas Production: A Review | International Journal of Molecular Sciences | 2008 | 2,011 |
38 | Intrinsically disordered protein | Journal of Molecular Graphics and Modelling | 2001 | 2,005 |
39 | The 13C Chemical-Shift Index: A simple method for the identification of protein secondary structure using 13C chemical-shift data | Journal of Biomolecular NMR | 1994 | 1,971 |
40 | Raman spectrum of anatase, TiO2 | Journal of Raman Spectroscopy | 1978 | 1,959 |
41 | Spectra of porphyrins | Journal of Molecular Spectroscopy | 1961 | 1,952 |
42 | Silver Nanoparticles: Synthesis, Characterization, Properties, Applications, and Therapeutic Approaches | International Journal of Molecular Sciences | 2016 | 1,931 |
43 | The NLRP3 Inflammasome: An Overview of Mechanisms of Activation and Regulation | International Journal of Molecular Sciences | 2019 | 1,900 |
44 | Sensitive optical biosensors for unlabeled targets: A review | Analytica Chimica Acta | 2008 | 1,895 |
45 | Review of the most common pre-processing techniques for near-infrared spectra | TrAC - Trends in Analytical Chemistry | 2009 | 1,894 |
46 | Fiber tracking: principles and strategies - a technical review | NMR in Biomedicine | 2002 | 1,859 |
47 | Raman Spectroscopy of Biological Tissues | Applied Spectroscopy Reviews | 2007 | 1,857 |
48 | MassBank: a public repository for sharing mass spectral data for life sciences | Journal of Mass Spectrometry | 2010 | 1,831 |
49 | THE HITRAN MOLECULAR SPECTROSCOPIC DATABASE AND HAWKS (HITRAN ATMOSPHERIC WORKSTATION): 1996 EDITION | Journal of Quantitative Spectroscopy and Radiative Transfer | 1998 | 1,794 |
50 | Synthesis of Nanosized Gold−Silica Core−Shell Particles | Langmuir | 1996 | 1,766 |
51 | Mass spectrometry-based metabolomics | Mass Spectrometry Reviews | 2007 | 1,754 |
52 | Alkanethiolate Gold Cluster Molecules with Core Diameters from 1.5 to 5.2 nm: Core and Monolayer Properties as a Function of Core Size | Langmuir | 1998 | 1,750 |
53 | Natural deep eutectic solvents as new potential media for green technology | Analytica Chimica Acta | 2013 | 1,748 |
54 | Chemical and microphysical characterization of ambient aerosols with the aerodyne aerosol mass spectrometer | Mass Spectrometry Reviews | 2007 | 1,708 |
55 | Generalized Two-Dimensional Correlation Method Applicable to Infrared, Raman, and other Types of Spectroscopy | Applied Spectroscopy | 1993 | 1,689 |
56 | Petal Effect: A Superhydrophobic State with High Adhesive Force | Langmuir | 2008 | 1,682 |
57 | SUBMILLIMETER, MILLIMETER, AND MICROWAVE SPECTRAL LINE CATALOG | Journal of Quantitative Spectroscopy and Radiative Transfer | 1998 | 1,674 |
58 | Ultrahydrophobic Surfaces. Effects of Topography Length Scales on Wettability | Langmuir | 2000 | 1,656 |
59 | The Mahalanobis distance | Chemometrics and Intelligent Laboratory Systems | 2000 | 1,649 |
60 | A Survey of Structure−Property Relationships of Surfaces that Resist the Adsorption of Protein | Langmuir | 2001 | 1,648 |
61 | A review of heavy metal contaminations in urban soils, urban road dusts and agricultural soils from China | Microchemical Journal | 2010 | 1,630 |
62 | A multiplatform code for the analysis of energy-dispersive X-ray fluorescence spectra | Spectrochimica Acta, Part B: Atomic Spectroscopy | 2007 | 1,612 |
63 | 1H, 13C and 15N random coil NMR chemical shifts of the common amino acids. I. Investigations of nearest-neighbor effects | Journal of Biomolecular NMR | 1995 | 1,604 |
64 | Super-Water-Repellent Fractal Surfaces | Langmuir | 1996 | 1,586 |
65 | Python: a programming language for software integration and development | Journal of Molecular Graphics and Modelling | 1999 | 1,586 |
66 | The program XEASY for computer-supported NMR spectral analysis of biological macromolecules | Journal of Biomolecular NMR | 1995 | 1,570 |
67 | Least squares formulation of robust non-negative factor analysis | Chemometrics and Intelligent Laboratory Systems | 1997 | 1,560 |
68 | Metal Oxide Nanoparticles as Bactericidal Agents | Langmuir | 2002 | 1,550 |
69 | HITEMP, the high-temperature molecular spectroscopic database | Journal of Quantitative Spectroscopy and Radiative Transfer | 2010 | 1,550 |
70 | Surface-enhanced Raman spectroscopy: a brief retrospective | Journal of Raman Spectroscopy | 2005 | 1,538 |
71 | An extensively modified version of MolScript that includes greatly enhanced coloring capabilities | Journal of Molecular Graphics and Modelling | 1997 | 1,533 |
72 | Photodegradation of Rhodamine B and Methyl Orange over Boron-Doped g-C3N4 under Visible Light Irradiation | Langmuir | 2010 | 1,529 |
73 | Atmospheric radiative transfer modeling: a summary of the AER codes | Journal of Quantitative Spectroscopy and Radiative Transfer | 2005 | 1,523 |
74 | Performance of some variable selection methods when multicollinearity is present | Chemometrics and Intelligent Laboratory Systems | 2005 | 1,520 |
75 | SIMPLS: An alternative approach to partial least squares regression | Chemometrics and Intelligent Laboratory Systems | 1993 | 1,517 |
76 | Electrospray ionization-principles and practice | Mass Spectrometry Reviews | 1990 | 1,511 |
77 | Proton NMR chemical shifts and coupling constants for brain metabolites | NMR in Biomedicine | 2000 | 1,505 |
78 | The Cologne Database for Molecular Spectroscopy, CDMS: a useful tool for astronomers and spectroscopists | Journal of Molecular Structure | 2005 | 1,496 |
79 | Heteronuclear multidimensional NMR experiments for the structure determination of proteins in solution employing pulsed field gradients | Progress in Nuclear Magnetic Resonance Spectroscopy | 1999 | 1,490 |
80 | Diffusion ordered nuclear magnetic resonance spectroscopy: principles and applications | Progress in Nuclear Magnetic Resonance Spectroscopy | 1999 | 1,481 |
81 | Biocompatibility of Gold Nanoparticles and Their Endocytotic Fate Inside the Cellular Compartment: A Microscopic Overview | Langmuir | 2005 | 1,479 |
82 | Physiological, Biochemical, and Molecular Mechanisms of Heat Stress Tolerance in Plants | International Journal of Molecular Sciences | 2013 | 1,470 |
83 | Size-Dependent Bacterial Growth Inhibition and Mechanism of Antibacterial Activity of Zinc Oxide Nanoparticles | Langmuir | 2011 | 1,467 |
84 | Tailoring Surface Plasmons through the Morphology and Assembly of Metal Nanoparticles | Langmuir | 2006 | 1,462 |
85 | FTIR techniques in clay mineral studies | Vibrational Spectroscopy | 2003 | 1,457 |
86 | Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm | Journal of Molecular Graphics and Modelling | 2012 | 1,449 |
87 | Automatic quantitation of localizedin vivo1H spectra with LCModel | NMR in Biomedicine | 2001 | 1,447 |
88 | Determination of the V2p XPS binding energies for different vanadium oxidation states (V5+ to V0+) | Journal of Electron Spectroscopy and Related Phenomena | 2004 | 1,420 |
89 | Iron oxide MR contrast agents for molecular and cellular imaging | NMR in Biomedicine | 2004 | 1,404 |
90 | Guidelines and recommended terms for expression of stable‐isotope‐ratio and gas‐ratio measurement results | Rapid Communications in Mass Spectrometry | 2011 | 1,404 |
91 | Obesity and Its Metabolic Complications: The Role of Adipokines and the Relationship between Obesity, Inflammation, Insulin Resistance, Dyslipidemia and Nonalcoholic Fatty Liver Disease | International Journal of Molecular Sciences | 2014 | 1,403 |
92 | Stability of curcumin in buffer solutions and characterization of its degradation products | Journal of Pharmaceutical and Biomedical Analysis | 1997 | 1,401 |
93 | Kinetically Controlled Seeded Growth Synthesis of Citrate-Stabilized Gold Nanoparticles of up to 200 nm: Size Focusing versus Ostwald Ripening | Langmuir | 2011 | 1,394 |
94 | The HITRAN molecular database: Editions of 1991 and 1992 | Journal of Quantitative Spectroscopy and Radiative Transfer | 1992 | 1,378 |
95 | Inferring microstructural features and the physiological state of tissues from diffusion-weighted images | NMR in Biomedicine | 1995 | 1,355 |
96 | Application of Large Pore MCM-41 Molecular Sieves To Improve Pore Size Analysis Using Nitrogen Adsorption Measurements | Langmuir | 1997 | 1,345 |
97 | Inter-laboratory note. Laser ablation inductively coupled plasma mass spectrometric transient signal data acquisition and analyte concentration calculation | Journal of Analytical Atomic Spectrometry | 1996 | 1,342 |
98 | Fourier transform pulsed-gradient spin-echo studies of molecular diffusion | Progress in Nuclear Magnetic Resonance Spectroscopy | 1987 | 1,328 |
99 | XCrySDen—a new program for displaying crystalline structures and electron densities | Journal of Molecular Graphics and Modelling | 1999 | 1,315 |
100 | Light scattering and the absolute characterization of macromolecules | Analytica Chimica Acta | 1993 | 1,313 |