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Top Articles

#TitleJournalYearCitations
1A rapid and sensitive method for the quantitation of microgram quantities of protein utilizing the principle of protein-dye bindingAnalytical Biochemistry1976215,588
2Generalized Gradient Approximation Made SimplePhysical Review Letters1996157,044
3A Rapid and Sensitive Method for the Quantitation of Microgram Quantities of Protein Utilizing the Principle of Protein-Dye BindingAnalytical Biochemistry197692,750
4Density‐functional thermochemistry. III. The role of exact exchangeJournal of Chemical Physics199391,707
5Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis setPhysical Review B199688,250
6Development of the Colle-Salvetti correlation-energy formula into a functional of the electron densityPhysical Review B198886,607
7Basic local alignment search toolJournal of Molecular Biology199082,180
8Projector augmented-wave methodPhysical Review B199466,022
9From ultrasoft pseudopotentials to the projector augmented-wave methodPhysical Review B199961,625
10Single-step method of RNA isolation by acid guanidinium thiocyanate-phenol-chloroform extractionAnalytical Biochemistry198758,438
11Special points for Brillouin-zone integrationsPhysical Review B197655,073
12Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setComputational Materials Science199654,900
13Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review196551,399
14Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A198846,818
15Inhomogeneous Electron GasPhysical Review196443,063
16A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuJournal of Chemical Physics201035,972
17Detection of specific sequences among DNA fragments separated by gel electrophoresisJournal of Molecular Biology197535,546
18Fast Parallel Algorithms for Short-Range Molecular DynamicsJournal of Computational Physics199535,279
19Ab initiomolecular dynamics for liquid metalsPhysical Review B199335,096
20The rise of grapheneNature Materials200735,008
21Comparison of simple potential functions for simulating liquid waterJournal of Chemical Physics198334,333
22Crystal structure refinement withSHELXLActa Crystallographica Section C, Structural Chemistry201530,441
23Equation of State Calculations by Fast Computing MachinesJournal of Chemical Physics195330,367
24Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogenJournal of Chemical Physics198927,560
25Single-Step Method of RNA Isolation by Acid Guanidinium Thiocyanate–Phenol–Chloroform ExtractionAnalytical Biochemistry198727,111
26Molecular dynamics with coupling to an external bathJournal of Chemical Physics198425,760
27Particle mesh Ewald: AnN⋅log(N) method for Ewald sums in large systemsJournal of Chemical Physics199324,656
28A technique for radiolabeling DNA restriction endonuclease fragments to high specific activityAnalytical Biochemistry198324,572
29Tissue sulfhydryl groupsArchives of Biochemistry and Biophysics195923,177
30Assay for lipid peroxides in animal tissues by thiobarbituric acid reactionAnalytical Biochemistry197922,890
31An improved technique for determining hardness and elastic modulus using load and displacement sensing indentation experimentsJournal of Materials Research199222,457
32A simple method for displaying the hydropathic character of a proteinJournal of Molecular Biology198222,171
33Accurate and simple analytic representation of the electron-gas correlation energyPhysical Review B199222,081
34The electronic properties of grapheneReviews of Modern Physics200920,779
35Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracyPhysical Chemistry Chemical Physics200520,342
36Soft self-consistent pseudopotentials in a generalized eigenvalue formalismPhysical Review B199020,195
37The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errorsMolecular Physics197020,046
38Measurement of protein using bicinchoninic acidAnalytical Biochemistry198519,774
39Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlationPhysical Review B199219,217
40SHELXT– Integrated space-group and crystal-structure determinationActa Crystallographica Section A: Foundations and Advances201518,933
41Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysisCanadian Journal of Physics198018,547
42Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesJournal of Computational Physics197718,418
43Self-interaction correction to density-functional approximations for many-electron systemsPhysical Review B198118,412
44A smooth particle mesh Ewald methodJournal of Chemical Physics199518,266
45QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materialsJournal of Physics Condensed Matter200918,183
46Canonical dynamics: Equilibrium phase-space distributionsPhysical Review A198517,960
47Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germaniumPhysical Review B199417,829
48The empirical mode decomposition and the Hilbert spectrum for nonlinear and non-stationary time series analysisProceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences199817,192
49Density-functional approximation for the correlation energy of the inhomogeneous electron gasPhysical Review B198616,966
50Optical Constants of the Noble MetalsPhysical Review B197216,775
51Statistical mechanics of complex networksReviews of Modern Physics200216,492
52The Ferric Reducing Ability of Plasma (FRAP) as a Measure of “Antioxidant Power”: The FRAP AssayAnalytical Biochemistry199616,000
53Colloquium: Topological insulatorsReviews of Modern Physics201015,620
54Double-slit photoelectron interference in strong-field ionization of the neon dimerNature Communications201915,301
55A climbing image nudged elastic band method for finding saddle points and minimum energy pathsJournal of Chemical Physics200015,067
56Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functionsJournal of Chemical Physics198014,940
57Polymorphic transitions in single crystals: A new molecular dynamics methodJournal of Applied Physics198114,777
58Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitalsJournal of Chemical Physics198514,629
59A unified formulation of the constant temperature molecular dynamics methodsJournal of Chemical Physics198414,484
60Efficient pseudopotentials for plane-wave calculationsPhysical Review B199114,468
61A new mixing of Hartree–Fock and local density‐functional theoriesJournal of Chemical Physics199314,273
62Observational Evidence from Supernovae for an Accelerating Universe and a Cosmological ConstantAstronomical Journal199814,196
63Toward reliable density functional methods without adjustable parameters: The PBE0 modelJournal of Chemical Physics199914,178
64Materials for electrochemical capacitorsNature Materials200814,090
65Measurements of Ω and Λ from 42 High‐Redshift SupernovaeAstrophysical Journal199914,066
66Hybrid functionals based on a screened Coulomb potentialJournal of Chemical Physics200314,063
67Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical featuresBiopolymers198313,990
68Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic MoleculesJournal of Chemical Physics197213,735
69Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functionsJournal of Chemical Physics199213,437
70Note on an Approximation Treatment for Many-Electron SystemsPhysical Review193413,433
71Electronics and optoelectronics of two-dimensional transition metal dichalcogenidesNature Nanotechnology201213,346
72Organic electroluminescent diodesApplied Physics Letters198713,232
73Labeling deoxyribonucleic acid to high specific activity in vitro by nick translation with DNA polymerase IJournal of Molecular Biology197713,093
74Recent advances in magnetic structure determination by neutron powder diffractionPhysica B: Condensed Matter199313,003
75Ground State of the Electron Gas by a Stochastic MethodPhysical Review Letters198013,000
76A logical calculus of the ideas immanent in nervous activityThe Bulletin of Mathematical Biophysics194312,960
77U1 snRNP regulates cancer cell migration and invasion in vitroNature Communications202012,921
78Atomic Force MicroscopePhysical Review Letters198612,910
79ATHENA,ARTEMIS,HEPHAESTUS: data analysis for X-ray absorption spectroscopy usingIFEFFITJournal of Synchrotron Radiation200512,799
80Fast unfolding of communities in large networksJournal of Statistical Mechanics: Theory and Experiment200812,786
81Raman Spectrum of Graphene and Graphene LayersPhysical Review Letters200612,689
82Structural absorption by barbule microstructures of super black bird of paradise feathersNature Communications201812,629
83Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to HgJournal of Chemical Physics198512,620
84Single-layer MoS2 transistorsNature Nanotechnology201112,612
85Possible highT c superconductivity in the Ba?La?Cu?O systemEuropean Physical Journal B198612,605
86Synthesis of graphene-based nanosheets via chemical reduction of exfoliated graphite oxideCarbon200712,577
87MoS2: A New Direct-Gap Semiconductor">Atomically ThinMoS2: A New Direct-Gap SemiconductorPhysical Review Letters201012,565
88Inhibited Spontaneous Emission in Solid-State Physics and ElectronicsPhysical Review Letters198712,419
89Interpretation of Raman spectra of disordered and amorphous carbonPhysical Review B200012,419
90Nonlinear total variation based noise removal algorithmsPhysica D: Nonlinear Phenomena199212,211
91Volume of fluid (VOF) method for the dynamics of free boundariesJournal of Computational Physics198112,164
92Maps of Dust Infrared Emission for Use in Estimation of Reddening and Cosmic Microwave Background Radiation ForegroundsAstrophysical Journal199812,127
93Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]Physical Review Letters199712,087
94Comparative Protein Modelling by Satisfaction of Spatial RestraintsJournal of Molecular Biology199311,892
95Canonical sampling through velocity rescalingJournal of Chemical Physics200711,867
96Superior Thermal Conductivity of Single-Layer GrapheneNano Letters200811,726
97Tricine-sodium dodecyl sulfate-polyacrylamide gel electrophoresis for the separation of proteins in the range from 1 to 100 kDaAnalytical Biochemistry198711,692
98Can Quantum-Mechanical Description of Physical Reality Be Considered Complete?Physical Review193511,583
99Fronts propagating with curvature-dependent speed: Algorithms based on Hamilton-Jacobi formulationsJournal of Computational Physics198811,578
100A procedure for the isolation of deoxyribonucleic acid from micro-organismsJournal of Molecular Biology196111,512