Yousung Jung, Ph.D. - Publications

Affiliations: 
2005 University of California, Berkeley, Berkeley, CA 
Area:
Theoretical Chemistry

93 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Yun Y, Khaliullin RZ, Jung Y. Low-dimensional Confined Ice Has the Electronic Signature of Liquid Water. The Journal of Physical Chemistry Letters. PMID 30946585 DOI: 10.1021/acs.jpclett.9b00921  0.56
2016 Back S, Kim JH, Kim YT, Jung Y. Bi-functional Interface of Au and Cu for Improved CO2 Electroreduction. Acs Applied Materials & Interfaces. PMID 27526778 DOI: 10.1021/acsami.6b05903  1
2016 Park SY, Kim TG, Ajitha MJ, Kwac K, Lee YM, Kim H, Jung Y, Kwon OH. The critical size of hydrogen-bonded alcohol clusters as effective Brønsted bases in solutions. Physical Chemistry Chemical Physics : Pccp. PMID 27337993 DOI: 10.1039/c6cp01650b  1
2016 Yoo GY, Lee WR, Jo H, Park J, Song JH, Lim KS, Moon D, Jung H, Lim J, Han SS, Jung Y, Hong CS. Adsorption of Carbon Dioxide on Unsaturated Metal Sites in M2 (dobpdc) Frameworks with Exceptional Structural Stability and Relation between Lewis Acidity and Adsorption Enthalpy. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27105924 DOI: 10.1002/chem.201600189  1
2016 Kim H, Park CS, Choi JW, Jung Y. Defect-Controlled Formation of Triclinic Na2 CoP2 O7 for 4 V Sodium-Ion Batteries. Angewandte Chemie (International Ed. in English). PMID 27098851 DOI: 10.1002/anie.201601022  1
2016 Ajitha MJ, Huang KW, Kwak J, Kim HJ, Chang S, Jung Y. A potential role of a substrate as a base for the deprotonation pathway in Rh-catalysed C-H amination of heteroarenes: DFT insights. Dalton Transactions (Cambridge, England : 2003). PMID 27071025 DOI: 10.1039/c6dt00686h  1
2016 Back S, Kim JH, Kim YT, Jung Y. On the mechanism of high product selectivity for HCOOH using Pb in CO2 electroreduction. Physical Chemistry Chemical Physics : Pccp. PMID 26996154 DOI: 10.1039/c6cp00542j  1
2016 Back S, Jung Y. On the mechanism of electrochemical ammonia synthesis on the Ru catalyst. Physical Chemistry Chemical Physics : Pccp. PMID 26974401 DOI: 10.1039/c5cp07363d  1
2016 Park SY, Lee YM, Kwac K, Jung Y, Kwon OH. Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 26757097 DOI: 10.1002/chem.201503948  1
2016 Kwac K, Lee JH, Choi JW, Jung Y. Computational Analysis of Pressure-Dependent Optimal Pore Size for CO2 Capture with Graphitic Surfaces Journal of Physical Chemistry C. 120: 3978-3985. DOI: 10.1021/acs.jpcc.5b12404  1
2015 Kim J, Jung Y. Analytical Double-Hybrid Density Functional Based on the Polynomial Series Expansion of Adiabatic Connection: A Quadratic Approximation. Journal of Chemical Theory and Computation. 11: 45-54. PMID 26574202 DOI: 10.1021/ct500660k  1
2015 Han S, Kim H, Kim J, Jung Y. Modulating the magnetic behavior of Fe(ii)-MOF-74 by the high electron affinity of the guest molecule. Physical Chemistry Chemical Physics : Pccp. 17: 16977-82. PMID 26061285 DOI: 10.1039/c5cp01441g  1
2015 Oh A, Baik H, Choi DS, Cheon JY, Kim B, Kim H, Kwon SJ, Joo SH, Jung Y, Lee K. Skeletal octahedral nanoframe with Cartesian coordinates via geometrically precise nanoscale phase segregation in a Pt@Ni core-shell nanocrystal. Acs Nano. 9: 2856-67. PMID 25734892 DOI: 10.1021/nn5068539  1
2015 Byeon A, Park J, Baik S, Jung Y, Lee JW. Effects of boron oxidation state on electrocatalytic activity of carbons synthesized from CO2 Journal of Materials Chemistry A. 3: 5843-5849. DOI: 10.1039/c4ta05979d  1
2015 Back S, Kim H, Jung Y. Selective heterogeneous CO2 electroreduction to methanol Acs Catalysis. 5: 965-971. DOI: 10.1021/cs501600x  1
2015 Back S, Yeom MS, Jung Y. Active Sites of Au and Ag Nanoparticle Catalysts for CO2 Electroreduction to CO Acs Catalysis. 5: 5089-5096. DOI: 10.1021/acscatal.5b00462  1
2015 Yoo C, Ajitha MJ, Jung Y, Lee Y. Mechanistic Study on C-C Bond Formation of a Nickel(I) Monocarbonyl Species with Alkyl Iodides: Experimental and Computational Investigations Organometallics. 34: 4305-4311. DOI: 10.1021/acs.organomet.5b00548  1
2015 Yang E, Ji H, Jung Y. Two-Dimensional Transition Metal Dichalcogenide Monolayers as Promising Sodium Ion Battery Anodes Journal of Physical Chemistry C. 119: 26374-26380. DOI: 10.1021/acs.jpcc.5b09935  1
2015 Nam KW, Kim S, Yang E, Jung Y, Levi E, Aurbach D, Choi JW. Critical role of crystal water for a layered cathode material in sodium ion batteries Chemistry of Materials. 27: 3721-3725. DOI: 10.1021/acs.chemmater.5b00869  1
2015 Kim H, Jung Y. A perspective on the electronic structure calculations for properties of battery electrode materials International Journal of Quantum Chemistry. DOI: 10.1002/qua.24948  1
2014 Kim H, Jung Y. Can Metal-Organic Framework Separate 1-Butene from Butene Isomers? The Journal of Physical Chemistry Letters. 5: 440-6. PMID 26276589 DOI: 10.1021/jz402734x  1
2014 Ji H, Park J, Cho M, Jung Y. Assessments of semilocal density functionals and corrections for carbon dioxide adsorption on metal-organic frameworks. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 3157-65. PMID 25167829 DOI: 10.1002/cphc.201402291  1
2014 Kim BG, Kim HJ, Back S, Nam KW, Jung Y, Han YK, Choi JW. Improved reversibility in lithium-oxygen battery: understanding elementary reactions and surface charge engineering of metal alloy catalyst. Scientific Reports. 4: 4225. PMID 24573326 DOI: 10.1038/srep04225  1
2014 Srinivasan S, Je SH, Back S, Barin G, Buyukcakir O, Guliyev R, Jung Y, Coskun A. Ordered supramolecular gels based on graphene oxide and tetracationic cyclophanes. Advanced Materials (Deerfield Beach, Fla.). 26: 2725-9, 2617. PMID 24523196 DOI: 10.1002/adma.201304334  1
2014 Lim SY, Kim H, Chung J, Lee JH, Kim BG, Choi JJ, Chung KY, Cho W, Kim SJ, Goddard WA, Jung Y, Choi JW. Role of intermediate phase for stable cycling of Na7V4(P2O7)4PO4 in sodium ion battery. Proceedings of the National Academy of Sciences of the United States of America. 111: 599-604. PMID 24379365 DOI: 10.1073/pnas.1316557110  1
2014 Kim HJ, Ajitha MJ, Lee Y, Ryu J, Kim J, Lee Y, Jung Y, Chang S. Hydrogen-bond-assisted controlled C-H functionalization via adaptive recognition of a purine directing group. Journal of the American Chemical Society. 136: 1132-40. PMID 24377460 DOI: 10.1021/ja4118472  1
2014 Patel HA, Je SH, Park J, Jung Y, Coskun A, Yavuz CT. Directing the structural features of N(2)-phobic nanoporous covalent organic polymers for CO(2) capture and separation. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 772-80. PMID 24338860 DOI: 10.1002/chem.201303493  1
2014 Park HG, Jung Y. Carbon nanofluidics of rapid water transport for energy applications. Chemical Society Reviews. 43: 565-76. PMID 24141359 DOI: 10.1039/c3cs60253b  1
2014 Park JY, Lee YS, Jung Y. Local intermolecular interactions for selective CO2 capture by zeolitic imidazole frameworks: Energy decomposition analysis Nanotechnology For Sustainable Development, First Edition. 277-288. DOI: 10.1007/978-3-319-05041-6_22  1
2013 Lee SH, Kang YB, Jung W, Jung Y, Kim S, Noh HM. Flow-induced voltage generation over monolayer graphene in the presence of herringbone grooves. Nanoscale Research Letters. 8: 487. PMID 24252646 DOI: 10.1186/1556-276X-8-487  1
2013 Kim H, Park J, Jung Y. The binding nature of light hydrocarbons on Fe/MOF-74 for gas separation. Physical Chemistry Chemical Physics : Pccp. 15: 19644-50. PMID 24132303 DOI: 10.1039/c3cp52980k  1
2013 Kim JS, Choi JS, Lee MJ, Park BH, Bukhvalov D, Son YW, Yoon D, Cheong H, Yun JN, Jung Y, Park JY, Salmeron M. Between scylla and charybdis: hydrophobic graphene-guided water diffusion on hydrophilic substrates. Scientific Reports. 3: 2309. PMID 23896759 DOI: 10.1038/srep02309  1
2013 Kim Y, Lee J, Yeom MS, Shin JW, Kim H, Cui Y, Kysar JW, Hone J, Jung Y, Jeon S, Han SM. Strengthening effect of single-atomic-layer graphene in metal-graphene nanolayered composites. Nature Communications. 4: 2114. PMID 23820590 DOI: 10.1038/ncomms3114  1
2013 Back S, Schmidt JA, Ji H, Heo J, Shao Y, Jung Y. On the structure of Si(100) surface: importance of higher order correlations for buckled dimer. The Journal of Chemical Physics. 138: 204709. PMID 23742502 DOI: 10.1063/1.4807334  1
2013 Ji H, Shao Y, Goddard WA, Jung Y. Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS Functional: Theory, Implementation, and Benchmark Comparison with M06-2X and MP2 Geometries for Nonbonded Compelexes. Journal of Chemical Theory and Computation. 9: 1971-1976. PMID 23671408 DOI: 10.1021/ct400050d  1
2013 Park CS, Kim H, Shakoor RA, Yang E, Lim SY, Kahraman R, Jung Y, Choi JW. Anomalous manganese activation of a pyrophosphate cathode in sodium ion batteries: a combined experimental and theoretical study. Journal of the American Chemical Society. 135: 2787-92. PMID 23350583 DOI: 10.1021/ja312044k  1
2013 Patel HA, Je SH, Park J, Chen DP, Jung Y, Yavuz CT, Coskun A. Unprecedented high-temperature CO2 selectivity in N2-phobic nanoporous covalent organic polymers. Nature Communications. 4: 1357. PMID 23322045 DOI: 10.1038/ncomms2359  1
2013 Ho Lee S, Jung Y, Kim S, Han CS. Flow-induced voltage generation in non-ionic liquids over monolayer graphene Applied Physics Letters. 102. DOI: 10.1063/1.4792702  1
2013 Park J, Kim H, Jung Y. Origin of selective guest-induced magnetism transition in Fe/MOF-74 Journal of Physical Chemistry Letters. 4: 2530-2534. DOI: 10.1021/jz4015103  1
2013 Yi S, Kim I, Pascal TA, Jung Y. Molecular dynamics simulations for thermal transport behavior of InAs nanotubes: A role of symmetry Computational Materials Science. 70: 8-12. DOI: 10.1016/j.commatsci.2012.12.024  1
2013 Patel HA, Karadas F, Byun J, Park J, Deniz E, Canlier A, Jung Y, Atilhan M, Yavuz CT. Highly stable nanoporous sulfur-bridged covalent organic polymers for carbon dioxide removal Advanced Functional Materials. 23: 2270-2276. DOI: 10.1002/adfm.201202442  1
2013 Kim H, Shakoor RA, Park C, Lim SY, Kim JS, Jo YN, Cho W, Miyasaka K, Kahraman R, Jung Y, Choi JW. Na2FeP2O7 as a promising iron-based pyrophosphate cathode for sodium rechargeable batteries: A combined experimental and theoretical study Advanced Functional Materials. 23: 1147-1155. DOI: 10.1002/adfm.201201589  1
2012 Park J, Kim H, Han SS, Jung Y. Tuning Metal-Organic Frameworks with Open-Metal Sites and Its Origin for Enhancing CO2 Affinity by Metal Substitution. The Journal of Physical Chemistry Letters. 3: 826-9. PMID 26286404 DOI: 10.1021/jz300047n  1
2012 Pascal TA, Lin ST, Goddard W, Jung Y. Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to Hydrophilic. The Journal of Physical Chemistry Letters. 3: 294-8. PMID 26285842 DOI: 10.1021/jz201612y  1
2012 Pascal TA, Schärf D, Jung Y, Kühne TD. On the absolute thermodynamics of water from computer simulations: a comparison of first-principles molecular dynamics, reactive and empirical force fields. The Journal of Chemical Physics. 137: 244507. PMID 23277945 DOI: 10.1063/1.4771974  1
2012 Kwak J, Ohk Y, Jung Y, Chang S. Rollover cyclometalation pathway in rhodium catalysis: dramatic NHC effects in the C-H bond functionalization. Journal of the American Chemical Society. 134: 17778-88. PMID 23013604 DOI: 10.1021/ja308205d  1
2012 Shakoor RA, Kim H, Cho W, Lim SY, Song H, Lee JW, Kang JK, Kim YT, Jung Y, Choi JW. Site-specific transition metal occupation in multicomponent pyrophosphate for improved electrochemical and thermal properties in lithium battery cathodes: a combined experimental and theoretical study. Journal of the American Chemical Society. 134: 11740-8. PMID 22720717 DOI: 10.1021/ja3042228  1
2012 Lee KR, Jung Y, Woo SI. Combinatorial screening of highly active Pd binary catalysts for electrochemical oxygen reduction. Acs Combinatorial Science. 14: 10-6. PMID 22040057 DOI: 10.1021/co200056d  1
2012 Lim SY, Kim H, Shakoor RA, Jung Y, Choi JW. Electrochemical and thermal properties of NASICON structured Na 3V2(PO4)3 as a sodium rechargeable battery cathode: A combined experimental and theoretical study Journal of the Electrochemical Society. 159: A1393-A1397. DOI: 10.1149/2.015209jes  1
2012 Patel HA, Karadas F, Canlier A, Park J, Deniz E, Jung Y, Atilhan M, Yavuz CT. High capacity carbon dioxide adsorption by inexpensive covalent organic polymers Journal of Materials Chemistry. 22: 8431-8437. DOI: 10.1039/c2jm30761h  1
2012 Han SS, Kim D, Jung DH, Cho S, Choi SH, Jung Y. Accurate Ab initio-based force field for predictive CO 2 uptake simulations in MOFs and ZIFs: Development and applications for MTV-MOFs Journal of Physical Chemistry C. 116: 20254-20261. DOI: 10.1021/jp307865n  1
2012 Kim H, Kim DJ, Seo DH, Yeom MS, Kang K, Kim DK, Jung Y. Ab initio study of the sodium intercalation and intermediate phases in Na 0.44MnO 2 for sodium-ion battery Chemistry of Materials. 24: 1205-1211. DOI: 10.1021/cm300065y  1
2012 Schmidt JA, Johnson MS, Jung Y, Danielache SO, Hattori S, Yoshida N. Predictions of the sulfur and carbon kinetic isotope effects in the OH + OCS reaction Chemical Physics Letters. 531: 64-69. DOI: 10.1016/j.cplett.2012.02.049  1
2012 Kim J, Jung Y. Reply to Comment on 'On the optimal symmetric purification scheme of the one-particle density matrix' Chemical Physics Letters. 527: 86-88. DOI: 10.1016/j.cplett.2012.01.015  1
2012 Park JY, Zhang Y, Joo SH, Jung Y, Somorjai GA. Size effect of RhPt bimetallic nanoparticles in catalytic activity of CO oxidation: Role of surface segregation Catalysis Today. 181: 133-137. DOI: 10.1016/j.cattod.2011.05.031  1
2012 Park JY, Lee YS, Jung Y. Local intermolecular interactions for selective CO 2 capture by zeolitic imidazole frameworks: Energy decomposition analysis Journal of Nanoparticle Research. 14. DOI: 10.1007/s11051-012-0793-9  1
2011 Kim J, Jung Y. Accelerated Purification Using Generalized Nonpurifying Intermediate Functions for Large-Scale Self-Consistent Field Calculations. Journal of Chemical Theory and Computation. 7: 3853-8. PMID 26598332 DOI: 10.1021/ct200441g  1
2011 Zhang IY, Xu X, Jung Y, Goddard WA. A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz. Proceedings of the National Academy of Sciences of the United States of America. 108: 19896-900. PMID 22114187 DOI: 10.1073/pnas.1115123108  1
2011 Shin K, Cha M, Lee W, Kim H, Jung Y, Dho J, Kim J, Lee H. Superexchange-like interaction of encaged molecular oxygen in nitrogen-doped water cages of clathrate hydrates. Journal of the American Chemical Society. 133: 20399-404. PMID 22060726 DOI: 10.1021/ja2081394  1
2011 Kim H, Lee K, Woo SI, Jung Y. On the mechanism of enhanced oxygen reduction reaction in nitrogen-doped graphene nanoribbons. Physical Chemistry Chemical Physics : Pccp. 13: 17505-10. PMID 21946759 DOI: 10.1039/c1cp21665a  1
2011 Pascal TA, Goddard WA, Jung Y. Entropy and the driving force for the filling of carbon nanotubes with water. Proceedings of the National Academy of Sciences of the United States of America. 108: 11794-8. PMID 21709268 DOI: 10.1073/pnas.1108073108  1
2011 Kim J, Ohk Y, Park SH, Jung Y, Chang S. Intramolecular aromatic carbenoid insertion of biaryldiazoacetates for the regioselective synthesis of fluorenes. Chemistry, An Asian Journal. 6: 2040-7. PMID 21567971 DOI: 10.1002/asia.201100142  1
2011 Wang Y, Hodas NO, Jung Y, Marcus RA. Microscopic structure and dynamics of air/water interface by computer simulations--comparison with sum-frequency generation experiments. Physical Chemistry Chemical Physics : Pccp. 13: 5388-93. PMID 21347495 DOI: 10.1039/c0cp02745f  1
2011 Shin K, Cha M, Kim H, Jung Y, Kang YS, Lee H. Direct observation of atomic hydrogen generated from the water framework of clathrate hydrates. Chemical Communications (Cambridge, England). 47: 674-6. PMID 21109882 DOI: 10.1039/c0cc02616f  1
2011 Zulfiqar S, Karadas F, Park J, Deniz E, Stucky GD, Jung Y, Atilhan M, Yavuz CT. Amidoximes: Promising candidates for CO 2 capture Energy and Environmental Science. 4: 4528-4531. DOI: 10.1039/c1ee02264d  1
2011 Kühne TD, Pascal TA, Kaxiras E, Jung Y. New insights into the structure of the vapor/water interface from large-scale first-principles simulations Journal of Physical Chemistry Letters. 2: 105-113. DOI: 10.1021/jz101391r  1
2011 Kim J, Jung Y. On the optimal symmetric purification scheme of the one-particle density matrix Chemical Physics Letters. 511: 159-160. DOI: 10.1016/j.cplett.2011.05.058  1
2010 Jung Y, Marcus RA. Protruding interfacial OH groups and 'on-water' heterogeneous catalysis. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 284117. PMID 21399289 DOI: 10.1088/0953-8984/22/28/284117  1
2010 Ohk Y, Kim YH, Jung Y. Comment on "Inaccuracy of density functional theory calculations for dihydrogen binding energetics onto Ca cation centers". Physical Review Letters. 104: 179601; author reply. PMID 20482152 DOI: 10.1103/PhysRevLett.104.179601  1
2008 Kurlancheek W, Jung Y, Head-Gordon M. Effects of ligands and spin-polarization on the preferred conformation of distannynes. Dalton Transactions (Cambridge, England : 2003). 4428-35. PMID 18698445 DOI: 10.1039/b803417f  1
2007 Jung Y, Shao Y, Head-Gordon M. Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity. Journal of Computational Chemistry. 28: 1953-64. PMID 17447248 DOI: 10.1002/jcc.20590  1
2007 Jung Y, Marcus RA. On the nature of organic catalysis "on water". Journal of the American Chemical Society. 129: 5492-502. PMID 17388592 DOI: 10.1021/ja068120f  1
2006 Sodt A, Beran GJ, Jung Y, Austin B, Head-Gordon M. A Fast Implementation of Perfect Pairing and Imperfect Pairing Using the Resolution of the Identity Approximation. Journal of Chemical Theory and Computation. 2: 300-5. PMID 26626518 DOI: 10.1021/ct050239b  1
2006 Kwac K, Lee C, Jung Y, Han J, Kwak K, Zheng J, Fayer MD, Cho M. Phenol-benzene complexation dynamics: quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy. The Journal of Chemical Physics. 125: 244508. PMID 17199356 DOI: 10.1063/1.2403132  1
2006 Shao Y, Molnar LF, Jung Y, Kussmann J, Ochsenfeld C, Brown ST, Gilbert AT, Slipchenko LV, Levchenko SV, O'Neill DP, DiStasio RA, Lochan RC, Wang T, Beran GJ, Besley NA, et al. Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91. PMID 16902710 DOI: 10.1039/b517914a  1
2006 Jung Y, Head-Gordon M. A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimer. Physical Chemistry Chemical Physics : Pccp. 8: 2831-40. PMID 16775638 DOI: 10.1039/b602438f  1
2006 Jung Y, Brynda M, Power PP, Head-Gordon M. Ab initio quantum chemistry calculations on the electronic structure of heavier alkyne congeners: diradical character and reactivity. Journal of the American Chemical Society. 128: 7185-92. PMID 16734470 DOI: 10.1021/ja055374c  1
2006 Sodt A, Beran GJO, Jung Y, Austin B, Head-Gordon M. A fast implementation of perfect pairing and imperfect pairing using the resolution of the identity approximation Journal of Chemical Theory and Computation. 2: 300-305. DOI: 10.1021/ct050239b  1
2005 DiStasio RA, Jung Y, Head-Gordon M. A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies. Journal of Chemical Theory and Computation. 1: 862-76. PMID 26641903 DOI: 10.1021/ct050126s  1
2005 Lochan RC, Jung Y, Head-Gordon M. Scaled opposite spin second order Møller-Plesset theory with improved physical description of long-range dispersion interactions. The Journal of Physical Chemistry. A. 109: 7598-605. PMID 16834130 DOI: 10.1021/jp0514426  1
2005 Jung Y, Sodt A, Gill PM, Head-Gordon M. Auxiliary basis expansions for large-scale electronic structure calculations. Proceedings of the National Academy of Sciences of the United States of America. 102: 6692-7. PMID 15845767 DOI: 10.1073/pnas.0408475102  1
2005 Jung Y, Gordon MS. Cycloaddition of benzene on Si(100) and its surface conversions. Journal of the American Chemical Society. 127: 3131-9. PMID 15740153 DOI: 10.1021/ja0402093  1
2005 Head-Gordon M, Beran GJO, Sodt A, Jung Y. Fast electronic structure methods for strongly correlated molecular systems Journal of Physics: Conference Series. 16: 233-242. DOI: 10.1088/1742-6596/16/1/031  1
2004 Jung Y, Lochan RC, Dutoi AD, Head-Gordon M. Scaled opposite-spin second order Møller-Plesset correlation energy: an economical electronic structure method. The Journal of Chemical Physics. 121: 9793-802. PMID 15549852 DOI: 10.1063/1.1809602  1
2004 Small D, Zaitsev V, Jung Y, Rosokha SV, Head-Gordon M, Kochi JK. Intermolecular pi-to-pi bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations. Journal of the American Chemical Society. 126: 13850-8. PMID 15493946 DOI: 10.1021/ja046770i  1
2004 Jung Y, Heine T, Schleyer PV, Head-Gordon M. Aromaticity of four-membered-ring 6pi-electron systems: N2S2 and Li2C4H4. Journal of the American Chemical Society. 126: 3132-8. PMID 15012143 DOI: 10.1021/ja0351490  1
2004 Jung Y, Head-Gordon M. What is the nature of the long bond in the TCNE2 2- π-dimer? Physical Chemistry Chemical Physics. 6: 2008-2011. DOI: 10.1039/b403450c  1
2004 Dutoi AD, Jung Y, Head-Gordon M. An orbital-based definition of radical and multiradical character Journal of Physical Chemistry A. 108: 10270-10279. DOI: 10.1021/jp0479791  1
2003 Jung Y, Head-Gordon M. How diradicaloid is a stable diradical? Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 4: 522-5. PMID 12785272 DOI: 10.1002/cphc.200200668  1
2003 Jung Y, Shao Y, Gordon MS, Doren DJ, Head-Gordon M. Are both symmetric and buckled dimers on Si(100) minima? Density functional and multireference perturbation theory calculations Journal of Chemical Physics. 119: 10917-10923. DOI: 10.1063/1.1620994  1
2003 Jung Y, Head-Gordon M. Controlling the Extent of Diradical Character by Utilizing Neighboring Group Interactions Journal of Physical Chemistry A. 107: 7475-7481. DOI: 10.1021/jp034467i  1
2003 Jung Y, Akinaga Y, Jordan KD, Gordon MS. An ab initio study of the structure of two-, three- and five-dimer silicon clusters: An approach to the Si(100) surface Theoretical Chemistry Accounts. 109: 268-273.  1
2001 Jung Y, Choi CH, Gordon MS. Adsorption of Water on the Si(100) Surface: An Ab Initio and QM/MM Cluster Study Journal of Physical Chemistry B. 105: 4039-4044.  1
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