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Literature information in PubChem: associations between PubChem records and scientific articlesPubChem structure–activity relationship (SAR) clustersSimilar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring setsPubChem Substance and Compound databasesPubChem3D: Conformer generationEffects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis.Spectroscopic investigations and potential energy surfaces of the ground and excited electronic states of 1,3-benzodioxan.PubChem3D: Diversity of shape.PubChem3D: Similar conformersPubChem3D: Shape compatibility filtering using molecular shape quadrupoles.PubChem3D: Biologically relevant 3-D similarityPubChem3D: a new resource for scientistsPubChem3D: conformer ensemble accuracy.Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: vibrations and structure of its excited S(1)(π,π(*)) electronic state.PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem.Infrared, Raman, and Ultraviolet Absorption Spectra and Theoretical Calculations and Structure of 2,3,5,6-Tetrafluoropyridine in its Ground and Excited Electronic States.Getting the most out of PubChem for virtual screeningInfrared, Raman, and ultraviolet absorption spectra and theoretical calculations and structure of 2,6-difluoropyridine in its ground and excited electronic states.Vertical detachment energies of anionic thymidine: Microhydration effects.Electron affinities of the radicals derived from cytosine.The extremely flat torsional potential energy surface of oxalyl chloride.Structures and energetics of the deprotonated adenine-uracil base pair, including proton-transferred systems.Conformations of allyl amine: theory vs experiment.Hydrogen-atom abstraction from the adenine-uracil base pair.An update on PUG-REST: RESTful interface for programmatic access to PubChem.PubChem chemical structure standardizationStructures, Energetics, and Aromaticities of the Tetrasilacyclobutadiene Dianion and Related Compounds: (Si4H4)2–, (Si4H4)2–·2Li+, [Si4(SiH3)4]2–·2Li+, [Si4(SiH3)4]2–·2Na+, and [Si4(SiH3)4]2–·2K+Ultraviolet absorption spectra, structure, vibrations, and theoretical calculations of 2-fluoro- and 3-fluoropyridine in their electronic excited statesHydration of the Lowest Triplet States of the DNA/RNA PyrimidinesEffects of Microsolvation on the Adenine−Uracil Base Pair and Its Radical Anion: Adenine−Uracil Mono- and Dihydrates†Microhydration of cytosine and its radical anion: Cytosine∙(H2O)n (n=1–5)Effects of microsolvation on uracil and its radical anion: Uracil∙(H2O)n (n=1–5)Microsolvation effects on the electron capturing ability of thymine: Thymine-water clustersMolecular structures of 2,3-diaza-1,3-butadiene and 2,3-diphospha-1,3-butadiene: ab initio and DFT calculationsMolecular structures of gauche and trans conformers for oxalyl chlorofluoride: ab initio and DFT calculationsA theoretical investigation into the conformational changes of dibenzo-p-dioxin, thianthrene, and selenanthreneDensity Functional Calculations, Structure, and Vibrational Frequencies of 2-Cyclopenten-1-one in Its S0, S1(n,π*), T1(n,π*), and T2(π,π*) States†PubChem 2019 update: improved access to chemical dataFinding Potential Multitarget Ligands Using PubChemDatabase resources of the National Center for Biotechnology Information
P50
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P50
description
Korean computational chemist
@en
químicu surcoreanu
@ast
name
Sunghwan Kim
@ast
Sunghwan Kim
@en
Sunghwan Kim
@es
Sunghwan Kim
@nl
Sunghwan Kim
@sl
type
label
Sunghwan Kim
@ast
Sunghwan Kim
@en
Sunghwan Kim
@es
Sunghwan Kim
@nl
Sunghwan Kim
@sl
altLabel
Martin Kim
@en
prefLabel
Sunghwan Kim
@ast
Sunghwan Kim
@en
Sunghwan Kim
@es
Sunghwan Kim
@nl
Sunghwan Kim
@sl
P1053
A-6738-2008
P106
P1153
37005677400
P1960
X0uSFBUAAAAJ
P2002
smartinkim
P2038
Sunghwan_Kim10
P21
P2456
P31
P3835
sunghwan-kim5
P496
0000-0001-9828-2074