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List of works by Sunghwan Kim

A theoretical investigation into the conformational changes of dibenzo-p-dioxin, thianthrene, and selenanthrene

An update on PUG-REST: RESTful interface for programmatic access to PubChem.

scientific article published in July 2018

Conformations of allyl amine: theory vs experiment

scientific article

Database resources of the National Center for Biotechnology Information

scientific article published on 01 January 2019

Database resources of the National Center for Biotechnology Information

scientific article published on 01 January 2020

Density 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†

article

Effects of Microsolvation on the Adenine−Uracil Base Pair and Its Radical Anion: Adenine−Uracil Mono- and Dihydrates†

Effects of microsolvation on uracil and its radical anion: Uracil∙(H2O)n (n=1–5)

Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis

scientific article

Electron affinities of the radicals derived from cytosine

scientific article published in March 2005

Finding Potential Multitarget Ligands Using PubChem

scientific article published on 01 January 2018

Fluorescence excitation and ultraviolet absorption spectra and theoretical calculations for benzocyclobutane: vibrations and structure of its excited S(1)(π,π(*)) electronic state

scientific article published on January 2014

Getting the most out of PubChem for virtual screening

scientific article

Hydration of the Lowest Triplet States of the DNA/RNA Pyrimidines

Hydrogen-atom abstraction from the adenine-uracil base pair.

scientific article published on 15 March 2007

IUPAC International Chemical Identifier (InChI)-related education and training materials through InChI Open Education Resource (OER)

scientific article published on 3 January 2024

Infrared, Raman, and Ultraviolet Absorption Spectra and Theoretical Calculations and Structure of 2,3,5,6-Tetrafluoropyridine in its Ground and Excited Electronic States

scientific article published on July 2015

Infrared, Raman, and ultraviolet absorption spectra and theoretical calculations and structure of 2,6-difluoropyridine in its ground and excited electronic states

scientific article published on 17 October 2013

Literature information in PubChem: associations between PubChem records and scientific articles

scientific article

Microhydration of cytosine and its radical anion: Cytosine∙(H2O)n (n=1–5)

article published in 2007

Microsolvation effects on the electron capturing ability of thymine: Thymine-water clusters

scientific article published on 01 May 2006

Molecular structures of 2,3-diaza-1,3-butadiene and 2,3-diphospha-1,3-butadiene: ab initio and DFT calculations

article

Molecular structures of gauche and trans conformers for oxalyl chlorofluoride: ab initio and DFT calculations

PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem

scientific article published on 30 April 2015

PUG-View: programmatic access to chemical annotations integrated in PubChem

scientific article published on 09 August 2019

Predicting drug-metagenome interactions: Variation in the microbial β-glucuronidase level in the human gut metagenomes

scientific article published on 07 January 2021

PubChem 2019 update: improved access to chemical data

scientific article published on 26 October 2018

PubChem 2023 update

scientific article published on 28 October 2022

PubChem 2025 update

scientific article published on 18 November 2024

PubChem Substance and Compound databases

scientific article (publication date: 4 January 2016)

PubChem chemical structure standardization

PubChem structure–activity relationship (SAR) clusters

scientific article (publication date: 2015)

PubChem3D: Biologically relevant 3-D similarity

scientific article

PubChem3D: Conformer generation

scientific article (publication date: 27 January 2011)

PubChem3D: Diversity of shape

scientific article

PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

scientific article

PubChem3D: Similar conformers

scientific article

PubChem3D: a new resource for scientists

scientific article

PubChem3D: conformer ensemble accuracy

scientific article

Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets

scientific article (publication date: 4 November 2016)

Spectroscopic investigations and potential energy surfaces of the ground and excited electronic states of 1,3-benzodioxan

scientific article

Structures and energetics of the deprotonated adenine-uracil base pair, including proton-transferred systems

scientific article

Structures, 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+

The extremely flat torsional potential energy surface of oxalyl chloride.

scientific article published in June 2005

Ultraviolet absorption spectra, structure, vibrations, and theoretical calculations of 2-fluoro- and 3-fluoropyridine in their electronic excited states

article

Vertical detachment energies of anionic thymidine: Microhydration effects

scientific article published on October 2010

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