Category:Computational chemistry
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- Bioclipse (8 F)
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- Emily A. Carter (2 F)
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- Videos of computational chemistry (121 F)
"Computational chemistry" kategorisindeki ortam dosyaları
Bu kategoride yer alan toplam 134 dosyanın 134 adedi aşağıdadır.
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3.6 Cheminformatics for Users.png 916 × 1.020; 317 KB
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4-Nitrobenzoic-acid-elpot-3D-vdW.png 966 × 624; 426 KB
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Modelos con cuadrícula.png 650 × 220; 42 KB
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Modelos sin cuadrícula.png 520 × 220; 78 KB
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A qualitative sketch of multi-reference wavefunction methods.png 1.437 × 675; 38 KB
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ACBP MSM from Folding@home.tiff 3.036 × 1.817; 1,1 MB
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Accessible surface.svg 587 × 720; 9 KB
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Acetone LUMO wiki.png 402 × 401; 84 KB
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Ahelix-FMO-Facio.jpg 1.073 × 821; 105 KB
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Antiprismatico cuadrado.PNG 417 × 252; 10 KB
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Ballview 1pma raytraced.png 768 × 456; 458 KB
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Biological Target Prediction of Bioactive Molecules Based on Minimum Structures Identification.pdf 17.833 × 12.614; 1,31 MB
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Bipiramidal pentagonal.PNG 397 × 249; 10 KB
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Bipiramidal Trigonal.PNG 415 × 292; 10 KB
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Breadth-first search generation - journal.pcbi.1008504.g002.png 4.496 × 3.177; 545 KB
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Breadth-First Search Structure Generation.svg 1.123 × 794; 4,03 MB
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Bruesselator de.svg 744 × 580; 260 KB
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Bruesselator.png 800 × 291; 214 KB
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Bruesselator.svg 744 × 580; 233 KB
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Brusselator space.gif 125 × 125; 1,44 MB
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Calculation.png 900 × 635; 99 KB
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Carbon atom energy HF LDA exact.png 3.200 × 2.400; 73 KB
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CASP PredCtr cumCalpha plot T0398.jpg 1.000 × 700; 600 KB
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Cdkdepict wikidata.png 933 × 368; 31 KB
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CharacteristicCurves.png 5.727 × 5.757; 196 KB
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Chem DistanceMtrix.png 1.108 × 608; 30 KB
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Chemaxon logo 2022.png 1.157 × 273; 15 KB
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Chlorantraniliprole Ball-N-Stick Avogadro 20200908.png 1.497 × 1.799; 355 KB
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Chromium picolinate3.gif 1.000 × 1.000; 4,19 MB
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Citation to ORCA.svg 567 × 319; 7 KB
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Citations to Turbomole (10.1002-wcms.1162).pdf 1.752 × 1.239; 103 KB
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Citations to Turbomole (10.1016-0009-2614(89)85118-8).pdf 1.752 × 1.239; 74 KB
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CO2 HOMO.png 416 × 373; 42 KB
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ComputationeleChemie.PNG 417 × 274; 2 KB
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Condon fig1 1926b.png 1.264 × 819; 130 KB
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Coulomb-Buckingham Potential.png 561 × 313; 5 KB
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Cuadrado plano.PNG 439 × 388; 12 KB
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Diag jab poziom.pdf 1.752 × 1.239; 63 KB
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Diagrama alto spin.png 385 × 155; 4 KB
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Diagrama bajo spin.PNG 364 × 165; 4 KB
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DNA gyrase and topoisomerase IV identification in 4-pyridone group.pdf 1.275 × 1.650; 237 KB
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Docking.png 500 × 158; 9 KB
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Docyas.gif 160 × 120; 580 KB
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Eduyas.png 960 × 720; 566 KB
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Electron correlation.png 428 × 247; 5 KB
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Electron correlation.svg 428 × 247; 2 KB
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Electron localization function of Kr (HF cc-pV5Z).png 2.400 × 1.800; 50 KB
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Elf h2o.png 1.000 × 1.000; 88 KB
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EXP-T output.png 712 × 650; 112 KB
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ExpemplaricObservable.png 5.637 × 3.624; 91 KB
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Explicit-solvent.svg 744 × 1.052; 172 KB
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FAH Logo.svg 444 × 480; 9 KB
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Fastrad-material definition module-Image1.png 1.433 × 625; 117 KB
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Fastrad-reverse MC-Image3.png 1.424 × 831; 429 KB
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Fastrad-satellite analysis-Image2.png 1.209 × 771; 34 KB
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Formaldehyde Molecular Orbitals.jpg 494 × 652; 228 KB
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Furan ELF.svg 905 × 354; 396 KB
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Gallic acid ESP.png 641 × 747; 213 KB
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Ghemical 2.0.1 screenshot.png 656 × 630; 45 KB
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Ghemical 3.0.0 screenshot.png 849 × 660; 48 KB
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H2+MOs.jpg 692 × 1.791; 374 KB
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H2O-sigma-profile.png 624 × 352; 11 KB
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H2plus figure 2.png 3.000 × 2.100; 118 KB
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Hardware-accelerated-molecular-modeling.png 180 × 154; 43 KB
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HF3-21Gpart1.png 1.359 × 255; 104 KB
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HF3-21Gpart1a.png 1.359 × 255; 85 KB
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Houk & Schleyer's diyne conjugative stabilization.png 1.471 × 460; 12 KB
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Hydrogen molecular ion.png 431 × 384; 5 KB
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HydrogenhydrogenbondingE.svg 548 × 150; 10 KB
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JCTC logo.png 657 × 135; 4 KB
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JMEEditor.png 360 × 315; 3 KB
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Knowledge based potential.png 3.952 × 1.320; 783 KB
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Laplacian map for the parent phosphasilene.png 759 × 648; 55 KB
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Large ribosomal subunit identification in (1R)-propanol group.pdf 1.275 × 1.650; 1,79 MB
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Large ribosomal subunit identification in 3-glutarimidyl group.pdf 1.275 × 1.650; 1,79 MB
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Large ribosomal subunit identification in cytosine group.pdf 1.275 × 1.650; 1,79 MB
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LJ mixtures.png 14.412 × 11.984; 996 KB
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LJ PhaseDiagram.png 6.566 × 5.916; 220 KB
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Mdalgorithm.PNG 763 × 396; 21 KB
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MetaNetX-MNXref logo.png 1.076 × 640; 66 KB
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MM PEF.svg 353 × 265; 98 KB
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Modelo job.png 1.226 × 351; 86 KB
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Modelo scracth.png 605 × 129; 30 KB
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Molecular Schematic for Interpreting a Radial Distribution Function.png 1.182 × 1.005; 153 KB
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MOLPRO logo.jpg 1.754 × 1.272; 258 KB
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Myers-Saito reaction.ogv 4,2 sn, 1.432×798; 463 KB
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Newton-x Structure.jpg 1.077 × 981; 127 KB
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Nupack secondary structure helices.png 3.925 × 2.137; 546 KB
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Octaedrico.PNG 422 × 210; 8 KB
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ORCA.png 552 × 180; 4 KB
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PCM - cavity.svg 744 × 1.052; 109 KB
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PEF comparison.png 3.976 × 1.516; 75 KB
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Penicillin G Electrostatic Surfaces.jpg 586 × 487; 158 KB
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Pentaacrylat.png 485 × 363; 181 KB
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Periodic Boundary Conditions in 2D.png 1.310 × 1.205; 30 KB
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PF3368 clustered top h.jpg 1.046 × 830; 1,53 MB
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Phenol mesomeric structures.png 1.007 × 219; 15 KB
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Piramidal cuadrado.PNG 439 × 342; 11 KB
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Plato-logo.gif 200 × 172; 6 KB
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PQSlogo.jpg 371 × 358; 50 KB
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Procesmodel.gif 304 × 135; 2 KB
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ProtonPairs1.jpg 1.032 × 1.269; 79 KB
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Pseudopotential.png 1.535 × 660; 255 KB
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PulayStressVisualization.png 1.023 × 320; 80 KB
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Quantum Phase Estimation Canonical Circuit.png 1.096 × 507; 56 KB
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Quantum phase estimation steps.png 768 × 355; 37 KB
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Reaction Co-ordinate Diagrams for reactions with 0, 1, 2 intermediates.png 1.024 × 768; 100 KB
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Reactivo Limitante Método 2.png 1.039 × 276; 32 KB
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RISM matlab.svg 744 × 1.052; 48 KB
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Rogers's zero conjugation stabilization of 1,3-butadiyne.png 1.693 × 141; 5 KB
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Sample ORCA output.jpg 621 × 365; 53 KB
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SCF DFT.jpg 720 × 960; 66 KB
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Schmittel reaction.ogv 8,7 sn, 1.432×798; 982 KB
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Schéma DFT Kohn-Sham.svg 265 × 444; 141 KB
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Self-consistent mean-field.svg 990 × 765; 72 KB
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Separación de campo cristalino.PNG 812 × 201; 18 KB
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Small ribosomal subunit identification in (4aRS,5aRS)-Sancycline group.pdf 1.275 × 1.650; 209 KB
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Small ribosomal subunit identification in 2,4(or 5)-diaminocyclohexanol group.pdf 1.275 × 1.650; 1,79 MB
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Spartan18Logo.png 568 × 164; 72 KB
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Sterol 14α-demethylase in 1,2,4-triazol-1-yl group.pdf 1.275 × 1.650; 1,79 MB
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Sterol 14α-demethylase in imidazol-1-yl group.pdf 1.275 × 1.650; 1,79 MB
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Surface of ice Ih.jpg 657 × 380; 70 KB
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T1 vs NIST Expiremental Heat of Formation.png 718 × 598; 59 KB
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Tannic acid ESP.png 790 × 754; 382 KB
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Tannic acid STICK model decagalloyl.png 873 × 824; 136 KB
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Target prediction process.pdf 1.275 × 1.650; 3,24 MB
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Target prediction process.png 1.963 × 2.798; 456 KB
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Tetraedrico.PNG 423 × 171; 7 KB
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Turbomole.png 419 × 85; 4 KB
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Vapor liquid equilibrium properties of LJ and LJTS potential.png 6.374 × 15.492; 543 KB
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Vapor liquid equilibrium properties of LJ potential.png 6.224 × 15.516; 463 KB
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VirialCoeff.png 5.852 × 6.900; 179 KB
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Virtual states in Houk & Schleyer's diyne conjugative stabilization.png 1.711 × 503; 14 KB