| Year |
Citation |
Score |
| 2020 |
Martin Somer A, Macaluso V, Barnes GL, Yang L, Pratihar S, Song K, Hase WL, Spezia R. Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces. Journal of the American Society For Mass Spectrometry. 31: 2-24. PMID 32881516 DOI: 10.1021/Jasms.9B00062 |
0.702 |
|
| 2020 |
Ha Y, Spezia R, Song K. Computer simulation of collision induced dissociation and isolobal analogy: The case of biotin and its analogs International Journal of Mass Spectrometry. 457: 116417. DOI: 10.1016/J.Ijms.2020.116417 |
0.627 |
|
| 2017 |
Jeon J, Barker JR, Song K. OH + Isoprene: A Direct Dynamics Study Bulletin of the Korean Chemical Society. 38: 651-660. DOI: 10.1002/Bkcs.11145 |
0.577 |
|
| 2016 |
Spezia R, Jeanvoine Y, Hase WL, Song K, Largo A. SYNTHESIS OF FORMAMIDE AND RELATED ORGANIC SPECIES IN THE INTERSTELLAR MEDIUM VIA CHEMICAL DYNAMICS SIMULATIONS The Astrophysical Journal. 826: 107. DOI: 10.3847/0004-637X/826/2/107 |
0.651 |
|
| 2016 |
Lee G, Park E, Chung H, Jeanvoine Y, Song K, Spezia R. Gas phase fragmentation mechanisms of protonated testosterone as revealed by chemical dynamics simulations International Journal of Mass Spectrometry. 407: 40-50. DOI: 10.1016/J.Ijms.2016.07.001 |
0.627 |
|
| 2015 |
Paek S, Choi H, Jo H, Lee K, Song K, Siddiqui SA, Sharma GD, Ko J. A new unsymmetrical near-IR small molecule with squaraine chromophore for solution processed bulk heterojunction solar cells Journal of Materials Chemistry C. 3: 7029-7037. DOI: 10.1039/C5Tc00679A |
0.303 |
|
| 2015 |
Jo H, Park S, Choi H, Lee S, Song K, Biswas S, Sharma A, Sharma GD, Ko J. S,N-Heteropentacene based small molecules with A-D-A structure for solution processed organic bulk heterojunction solar cells Rsc Advances. 5: 102115-102125. DOI: 10.1039/C5Ra21657E |
0.324 |
|
| 2015 |
Spezia R, Lee SB, Cho A, Song K. Collision-induced dissociation mechanisms of protonated penta- and octa-glycine as revealed by chemical dynamics simulations International Journal of Mass Spectrometry. 392: 125-138. DOI: 10.1016/J.Ijms.2015.10.001 |
0.654 |
|
| 2015 |
Spezia R, Martens J, Oomens J, Song K. Collision-induced dissociation pathways of protonated Gly2NH2 and Gly3NH2 in the short time-scale limit by chemical dynamics and ion spectroscopy International Journal of Mass Spectrometry. 388: 40-52. DOI: 10.1016/J.Ijms.2015.07.025 |
0.646 |
|
| 2015 |
Lim K, Song K, Kang Y, Ko J. Organic sensitizers possessing carbazole donor and indeno[1,2-b] thiophene spacer for efficient dye sensitized solar cells Dyes and Pigments. 119: 41-48. DOI: 10.1016/J.Dyepig.2015.03.013 |
0.332 |
|
| 2014 |
Cho N, Han J, Song K, Kang MS, Jun MJ, Kang Y, Ko J. Substituent effect of fluorine atom on benzothiadiazole bridging unit in dye sensitized solar cells Tetrahedron. 70: 427-433. DOI: 10.1016/J.Tet.2013.11.047 |
0.344 |
|
| 2014 |
Ortiz D, Salpin JY, Song K, Spezia R. Galactose-6-Sulfate collision induced dissociation using QM + MM chemical dynamics simulations and ESI-MS/MS experiments International Journal of Mass Spectrometry. 358: 25-35. DOI: 10.1016/J.Ijms.2013.11.002 |
0.612 |
|
| 2013 |
Choi H, Paek S, Lim K, Kim C, Kang M, Song K, Ko J. Molecular engineering of organic sensitizers for highly efficient gel-state dye-sensitized solar cells Journal of Materials Chemistry A. 1: 8226. DOI: 10.1039/C3Ta11132F |
0.316 |
|
| 2013 |
Ortiz D, Martin-Gago P, Riera A, Song K, Salpin JY, Spezia R. Gas-phase collision induced dissociation mechanisms of peptides: Theoretical and experimental study of N-formylalanylamide fragmentation International Journal of Mass Spectrometry. 335: 33-44. DOI: 10.1016/J.Ijms.2012.11.001 |
0.641 |
|
| 2012 |
Spezia R, Cimas A, Gaigeot MP, Salpin JY, Song K, Hase WL. Collision induced dissociation of doubly-charged ions: Coulomb explosion vs. neutral loss in [Ca(urea)]2+ gas phase unimolecular reactivity via chemical dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 14: 11724-36. PMID 22828785 DOI: 10.1039/C2Cp41379E |
0.716 |
|
| 2012 |
Do K, Kim D, Cho N, Paek S, Song K, Ko J. New type of organic sensitizers with a planar amine unit for efficient dye-sensitized solar cells. Organic Letters. 14: 222-5. PMID 22188378 DOI: 10.1021/Ol203012S |
0.302 |
|
| 2011 |
Nguyen TL, Park J, Lee K, Song K, Barker JR. Mechanism and kinetics of the reaction NO3 + C2H4. The Journal of Physical Chemistry. A. 115: 4894-901. PMID 21510656 DOI: 10.1021/Jp200460B |
0.56 |
|
| 2011 |
Kim C, Choi H, Paek S, Kim J, Song K, Kang M, Ko J. Molecular engineering of thia-bridged triphenylamine heterohelicenes as novel organic dyes for dye-sensitized solar cells Journal of Photochemistry and Photobiology a: Chemistry. 225: 17-25. DOI: 10.1016/J.Jphotochem.2011.09.020 |
0.305 |
|
| 2011 |
Kim D, Kim C, Choi H, Song K, Kang M, Ko J. A new class of organic sensitizers with fused planar triphenylamine for nanocrystalline dye sensitized solar cells Journal of Photochemistry and Photobiology a: Chemistry. 219: 122-131. DOI: 10.1016/J.Jphotochem.2011.02.001 |
0.311 |
|
| 2011 |
Jeanvoine Y, Gaigeot MP, Hase WL, Song K, Spezia R. Collision induced dissociation of protonated urea with N 2: Effects of rotational energy on reactivity and energy transfer via chemical dynamics simulations International Journal of Mass Spectrometry. 308: 289-298. DOI: 10.1016/J.Ijms.2011.07.029 |
0.721 |
|
| 2009 |
Spezia R, Salpin JY, Gaigeot MP, Hase WL, Song K. Protonated urea collision-induced dissociation. Comparison of experiments and chemical dynamics simulations. The Journal of Physical Chemistry. A. 113: 13853-62. PMID 19886650 DOI: 10.1021/Jp906482V |
0.725 |
|
| 2009 |
Park K, Deb B, Song K, Hase WL. Importance of shattering fragmentation in the surface-induced dissociation of protonated octaglycine. Journal of the American Society For Mass Spectrometry. 20: 939-48. PMID 19318279 DOI: 10.1016/J.Jasms.2009.02.028 |
0.572 |
|
| 2008 |
Deb B, Hu W, Song K, Hase WL. An analytical potential energy function to model protonated peptide soft-landing experiments. The CH3NH3+/CH4 interactions. Physical Chemistry Chemical Physics : Pccp. 10: 4565-72. PMID 18665306 DOI: 10.1039/B803155J |
0.539 |
|
| 2007 |
Lourderaj U, Song K, Windus TL, Zhuang Y, Hase WL. Direct dynamics simulations using Hessian-based predictor-corrector integration algorithms. The Journal of Chemical Physics. 126: 044105. PMID 17286460 DOI: 10.1063/1.2437214 |
0.486 |
|
| 2007 |
Kim S, Choi H, Baik C, Song K, Kang SO, Ko J. Synthesis of conjugated organic dyes containing alkyl substituted thiophene for solar cell Tetrahedron. 63: 11436-11443. DOI: 10.1016/J.Tet.2007.08.058 |
0.312 |
|
| 2007 |
Park K, Song K, Hase WL. An ab initio direct dynamics simulation of protonated glycine surface-induced dissociation International Journal of Mass Spectrometry. 265: 326-336. DOI: 10.1016/J.Ijms.2007.03.009 |
0.579 |
|
| 2006 |
Vayner G, Addepalli SV, Song K, Hase WL. Post-transition state dynamics for propene ozonolysis: Intramolecular and unimolecular dynamics of molozonide. The Journal of Chemical Physics. 125: 014317. PMID 16863308 DOI: 10.1063/1.2206785 |
0.579 |
|
| 2006 |
Sun L, Park K, Song K, Setser DW, Hase WL. Use of a single trajectory to study product energy partitioning in unimolecular dissociation: mass effects for halogenated alkanes. The Journal of Chemical Physics. 124: 64313. PMID 16483213 DOI: 10.1063/1.2166236 |
0.584 |
|
| 2006 |
Dong E, Setser DW, Hase WL, Song K. Comparison of levels of electronic structure theory in direct dynamics simulations of C2H5F --> HF + C2H4 product energy partitioning. The Journal of Physical Chemistry. A. 110: 1484-90. PMID 16435808 DOI: 10.1021/Jp052888P |
0.579 |
|
| 2006 |
Sun L, Park K, Song K, Setser DW, Hase WL. Use of a single trajectory to study product energy partitioning in unimolecular dissociation: Mass effects for halogenated alkanes Journal of Chemical Physics. 124. DOI: 10.1063/1.2166236 |
0.473 |
|
| 2006 |
Dong E, Setser DW, Hase WL, Song K. Comparison of levels of electronic structure theory in direct dynamics simulations of C2H5F → HF + C 2H 4 product energy partitioning Journal of Physical Chemistry A. 110: 1484-1490. DOI: 10.1021/jp052888p |
0.502 |
|
| 2006 |
Cheon S, Song K, Hase WL. Central barrier recrossing dynamics of the Cl-+CD3Cl SN2 reaction Journal of Molecular Structure: Theochem. 771: 27-31. DOI: 10.1016/J.Theochem.2006.03.032 |
0.554 |
|
| 2006 |
Choi H, Jung I, Song KH, Song K, Shin D, Kang SO, Ko J. Synthesis and photochromic reactivity of diarylethene trimers bridged by ethenyl and ethynyl unit Tetrahedron. 62: 9059-9065. DOI: 10.1016/J.Tet.2006.06.095 |
0.308 |
|
| 2006 |
Rahaman A, Hase WL, Song K, Wang J, Meroueh SO. Chemical Dynamics Simulations of Energy Transfer and Unimolecular Decomposition in Collision-Induced Dissociation (CID) and Surface-Induced Dissociation (SID) Principles of Mass Spectrometry Applied to Biomolecules. 379-432. DOI: 10.1002/047005042X.ch11 |
0.537 |
|
| 2005 |
Liu J, Song K, Hase WL, Anderson SL. Direct dynamics trajectory study of the reaction of formaldehyde cation with D2: vibrational and zero-point energy effects on quasiclassical trajectories. The Journal of Physical Chemistry. A. 109: 11376-84. PMID 16354024 DOI: 10.1021/Jp052615U |
0.582 |
|
| 2004 |
Liu J, Song K, Hase WL, Anderson SL. Direct dynamics trajectory study of vibrational effects: can polanyi rules be generalized to a polyatomic system? Journal of the American Chemical Society. 126: 8602-3. PMID 15250683 DOI: 10.1021/Ja048635B |
0.549 |
|
| 2004 |
Sun L, Chang E, Song K, Hase WL. Transition state dynamics and a QM/MM model for the Cl + C2H5Cl SN2 reaction Canadian Journal of Chemistry. 82: 891-899. DOI: 10.1139/V04-082 |
0.574 |
|
| 2004 |
Lee J, Dong E, Jin D, Song K, Collins MA. Classical trajectory studies of the photodissociation reaction of sym-triazine Physical Chemistry Chemical Physics. 6: 945. DOI: 10.1039/B314730D |
0.397 |
|
| 2003 |
Wang Y, Hase WL, Song K. Direct dynamics study of N-protonated diglycine surface-induced dissociation. Influence of collision energy. Journal of the American Society For Mass Spectrometry. 14: 1402-12. PMID 14652188 DOI: 10.1016/J.Jasms.2003.08.014 |
0.589 |
|
| 2003 |
Liu J, Song K, Hase WL, Anderson SL. Direct dynamics study of energy transfer and collision-induced dissociation: Effects of impact energy, geometry, and reactant vibrational mode in H2CO+–Ne collisions The Journal of Chemical Physics. 119: 3040-3050. DOI: 10.1063/1.1588634 |
0.571 |
|
| 2003 |
Song K, Meroueh O, Hase WL. Dynamics of Cr(CO)6 + collisions with hydrogenated surfaces Journal of Chemical Physics. 118: 2893-2902. DOI: 10.1063/1.1534094 |
0.561 |
|
| 2002 |
Sun L, Song K, Hase WL. A SN2 reaction that avoids its deep potential energy minimum. Science (New York, N.Y.). 296: 875-8. PMID 11988565 DOI: 10.1126/Science.1068053 |
0.591 |
|
| 2002 |
Xie H, Song K, Mann DJ, Hase WL. Temperature gradients and frictional energy dissipation in the sliding of hydroxylated α-alumina surfaces Physical Chemistry Chemical Physics. 4: 5377-5385. DOI: 10.1039/B204698A |
0.524 |
|
| 2001 |
Sun L, Hase WL, Song K. Trajectory studies of S(N)2 nucleophilic substitution. 8. Central barrier dynamics for gas phase Cl(-) + CH(3)Cl. Journal of the American Chemical Society. 123: 5753-6. PMID 11403609 DOI: 10.1021/Ja004077Z |
0.53 |
|
| 2001 |
Song K, Hase WL. Anharmonic Semiclassical Variational Transition-State Theory Rate Constant Model for H Atom Association with Different Sites on the Diamond {111} Surface† The Journal of Physical Chemistry A. 105: 2453-2457. DOI: 10.1021/Jp003826W |
0.564 |
|
| 2001 |
Song K, Collins MA. A classical trajectory study of sym-triazine photodissociation on an interpolated potential energy surface Chemical Physics Letters. 335: 481-488. DOI: 10.1016/S0009-2614(01)00020-3 |
0.435 |
|
| 1999 |
Song K, Hase WL. Fitting classical microcanonical unimolecular rate constants to a modified RRK expression: Anharmonic and variational effects The Journal of Chemical Physics. 110: 6198-6207. DOI: 10.1063/1.478525 |
0.514 |
|
| 1999 |
Bolton K, Bernhard Schlegel H, Hase WL, Song K. An ab initio quasi-classical direct dynamics investigation of the F+C2H4→C2H3F+H product energy distributions Physical Chemistry Chemical Physics. 1: 999-1011. DOI: 10.1039/A808650H |
0.561 |
|
| 1998 |
Song K, Hase WL. Role of State Specificity in the Temperature- and Pressure-Dependent Unimolecular Rate Constants for HO2→ H + O2Dissociation The Journal of Physical Chemistry A. 102: 1292-1296. DOI: 10.1021/Jp972581T |
0.462 |
|
| 1998 |
de Sainte Claire P, Hase WL, Song K. Role of the Surface Site in the Kinetics of H Atom Association with Diamond Surfaces The Journal of Physical Chemistry B. 102: 382-386. DOI: 10.1021/Jp9711003 |
0.522 |
|
| 1998 |
Bolton K, Hase WL, Schlegel H, Song K. A direct dynamics study of the F + C2H4 → C2H3F + H product energy distributions Chemical Physics Letters. 288: 621-627. DOI: 10.1016/S0009-2614(98)00274-7 |
0.506 |
|
| 1996 |
de Sainte Claire P, Song K, Hase WL, Brenner DW. Comparison of ab Initio and Empirical Potentials for H-Atom Association with Diamond Surfaces The Journal of Physical Chemistry. 100: 1761-1766. DOI: 10.1021/Jp951693M |
0.525 |
|
| 1996 |
Nam Shin D, Sim Yoo Y, Woong Park C, Won Hahn J, Song K. Kinetic study for the unimolecular dissociation of CF3H: RRKM and PST calculations on an ab initio potential energy surface Chemical Physics Letters. 258: 613-619. DOI: 10.1016/0009-2614(96)00691-4 |
0.362 |
|
| 1995 |
Song K, de Sainte Claire P, Hase WL, Hass KC. Comparison of molecular dynamics and variational transition-state-theory calculations of the rate constant for H-atom association with the diamond {111} surface. Physical Review. B, Condensed Matter. 52: 2949-2958. PMID 9981367 DOI: 10.1103/Physrevb.52.2949 |
0.562 |
|
| 1995 |
Song K, Peslherbe GH, Hase WL, Dobbyn AJ, Stumpf M, Schinke R. Comparison of quantum and semiclassical variational transition state models for the HO2→H+O2microcanonical rate constant The Journal of Chemical Physics. 103: 8891-8900. DOI: 10.1063/1.470078 |
0.546 |
|
| 1991 |
Lifshitz C, Louage F, Aviyente V, Song K. Transition-state switchings for single potential well ionic dissociations Journal of Physical Chemistry. 95: 9298-9302. DOI: 10.1021/J100176A049 |
0.38 |
|
| 1990 |
Song K, Chesnavich WJ. Multiple transition states in chemical reactions. II. The effect of angular momentum in variational studies of HO2and HeH+2systems The Journal of Chemical Physics. 93: 5751-5759. DOI: 10.1063/1.459569 |
0.709 |
|
| 1989 |
Song K, Chesnavich WJ. Multiple transition states in chemical reactions: Variational transition state theory studies of the HO2and HeH+2systems The Journal of Chemical Physics. 91: 4664-4678. DOI: 10.1063/1.456757 |
0.727 |
|
| 1986 |
Grice ME, Song K, Chesnavich WJ. The orbiting transition state for systems containing linear molecules: application to (H2O)OH- + CO2 .fwdarw. HCO3- + H2O The Journal of Physical Chemistry. 90: 3503-3509. DOI: 10.1021/J100407A011 |
0.731 |
|
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