| Year |
Citation |
Score |
| 2023 |
Finney JM, Choi TH, Huchmala RM, Heindel JP, Xantheas SS, Jordan KD, McCoy AB. Isotope Effects in the Zundel-Eigen Isomerization of H(HO). The Journal of Physical Chemistry Letters. 4666-4672. PMID 37167485 DOI: 10.1021/acs.jpclett.3c00952 |
0.304 |
|
| 2022 |
Stropoli SJ, Khuu T, Boyer MA, Karimova NV, Gavin-Hanner CF, Mitra S, Lachowicz AL, Yang N, Gerber RB, McCoy AB, Johnson MA. Electronic and mechanical anharmonicities in the vibrational spectra of the H-bonded, cryogenically cooled X · HOCl (X=Cl, Br, I) complexes: Characterization of the strong anionic H-bond to an acidic OH group. The Journal of Chemical Physics. 156: 174303. PMID 35525657 DOI: 10.1063/5.0083078 |
0.476 |
|
| 2022 |
Stropoli SJ, Khuu T, Messinger JP, Karimova NV, Boyer MA, Zakai I, Mitra S, Lachowicz AL, Yang N, Edington SC, Gerber RB, McCoy AB, Johnson MA. Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl·IOH Complex with Cryogenic Ion Vibrational Spectroscopy. The Journal of Physical Chemistry Letters. 2750-2756. PMID 35315676 DOI: 10.1021/acs.jpclett.2c00218 |
0.446 |
|
| 2021 |
DiRisio RJ, Finney JM, Dzugan LC, Madison LR, McCoy AB. Using Diffusion Monte Carlo Wave Functions to Analyze the Vibrational Spectra of HO and HO. The Journal of Physical Chemistry. A. 125: 7185-7197. PMID 34433268 DOI: 10.1021/acs.jpca.1c05025 |
0.3 |
|
| 2020 |
Finney JM, DiRisio RJ, McCoy AB. Guided Diffusion Monte Carlo: A Method for Studying Molecules and Ions That Display Large Amplitude Vibrational Motions. The Journal of Physical Chemistry. A. PMID 33152245 DOI: 10.1021/acs.jpca.0c07181 |
0.308 |
|
| 2020 |
Lee VGM, Vetterli NJ, Boyer MA, McCoy AB. Diffusion Monte Carlo Studies on the Detection of Structural Changes in the Water Hexamer Upon Isotopic Substitution. The Journal of Physical Chemistry. A. PMID 32692558 DOI: 10.1021/Acs.Jpca.0C05686 |
0.331 |
|
| 2020 |
Boyer MA, Chiu CS, McDonald DC, Wagner JP, Colley JE, Orr DS, Duncan MA, McCoy AB. The Role of Tunneling in the Spectra of H and D up to 7300 cm. The Journal of Physical Chemistry. A. PMID 32392420 DOI: 10.1021/Acs.Jpca.0C02299 |
0.393 |
|
| 2020 |
Talbot JJ, Yang N, Huang M, Duong CH, McCoy AB, Steele RP, Johnson MA. Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in the Iodide-Water Binary Complex. The Journal of Physical Chemistry. A. PMID 32162519 DOI: 10.1021/Acs.Jpca.0C00853 |
0.394 |
|
| 2019 |
Duong CH, Yang N, Johnson MA, DiRisio RJ, McCoy AB, Yu Q, Bowman JM. Disentangling the Complex Vibrational Mechanics of the Protonated Water Trimer by Rational Control of Its Hydrogen Bonds. The Journal of Physical Chemistry. A. PMID 31430153 DOI: 10.1021/Acs.Jpca.9B05576 |
0.369 |
|
| 2019 |
Lee VGM, McCoy AB. An Efficient Approach for Studies of Water Clusters Using Diffusion Monte Carlo. The Journal of Physical Chemistry. A. PMID 31408352 DOI: 10.1021/Acs.Jpca.9B06444 |
0.319 |
|
| 2019 |
Schatz GC, McCoy AB, Shea JE, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, et al. The Periodic Table. The Journal of Physical Chemistry Letters. 10: 4051-4062. PMID 31315403 DOI: 10.1021/acs.jpclett.9b01057 |
0.381 |
|
| 2019 |
Schatz GC, McCoy AB, Shea JE, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, et al. The Periodic Table. The Journal of Physical Chemistry. A. 123: 5837-5848. PMID 31315402 DOI: 10.1021/Acs.Jpca.9B03461 |
0.449 |
|
| 2019 |
Schatz GC, McCoy AB, Shea JE, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, et al. The Periodic Table. The Journal of Physical Chemistry. B. 123: 5973-5984. PMID 31315401 DOI: 10.1021/Acs.Jpcb.9B03463 |
0.449 |
|
| 2019 |
Ahmed M, Daly S, Dessent C, Dopfer O, Gabelica V, Gaigeot MP, Gatchell M, Gerber B, Gibbard J, Johnson C, Johnson M, Jordan K, Krylov A, Lovelock K, Mayer M, ... ... McCoy AB, et al. Going large(r): general discussion. Faraday Discussions. PMID 31290873 DOI: 10.1039/C9Fd90034A |
0.716 |
|
| 2019 |
Dessent C, Johnson M, Gerber B, Wester R, Asmis K, Avdonin I, Bieske E, Gatchell M, Bull J, Sarre P, Gaigeot MP, Chou CW, Mabbs R, Jordan K, Beyer MK, ... ... McCoy AB, et al. Exotic systems: general discussion. Faraday Discussions. PMID 31287122 DOI: 10.1039/C9Fd90035G |
0.718 |
|
| 2019 |
Simons J, Johnson M, Asmis K, McCoy AB, Daly S, Wester R, Rijs A, Sarre P, Gaigeot MP, Mabbs R, Jordan K, Dessent C, Neumark D, Chou CW, Gerber B, et al. Pushing resolution in frequency and time: general discussion. Faraday Discussions. PMID 31282905 DOI: 10.1039/C9Fd90033K |
0.462 |
|
| 2019 |
Ahmed M, Asmis K, Avdonin I, Beyer MK, Bieske E, Bougueroua S, Chou CW, Daly S, Dopfer O, Ellis-Gibbings L, Gabelica V, Gaigeot MP, Gatchell M, Gerber B, Johnson C, ... ... McCoy AB, et al. Controlling internal degrees: general discussion. Faraday Discussions. PMID 31276148 DOI: 10.1039/C9Fd90032B |
0.718 |
|
| 2019 |
Fore ME, McCoy AB. Statistical Analysis of the Effect of Deuteration on Quantum Delocalization in CH. The Journal of Physical Chemistry. A. PMID 31063687 DOI: 10.1021/Acs.Jpca.9B02685 |
0.347 |
|
| 2019 |
Lee VGM, Madison LR, McCoy AB. Evaluation of Matrix Elements Using Diffusion Monte Carlo Wave Functions. The Journal of Physical Chemistry. A. PMID 31021632 DOI: 10.1021/Acs.Jpca.8B11213 |
0.333 |
|
| 2019 |
Yang N, Duong CH, Kelleher PJ, McCoy AB, Johnson MA. Deconstructing water's diffuse OH stretching vibrational spectrum with cold clusters. Science (New York, N.Y.). 364: 275-278. PMID 31000660 DOI: 10.1126/Science.Aaw4086 |
0.347 |
|
| 2019 |
Barber VP, Pandit S, Esposito VJ, McCoy AB, Lester MI. CH Stretch Activation of CHCHOO: Deep Tunneling to Hydroxyl Radical Products. The Journal of Physical Chemistry. A. PMID 30840823 DOI: 10.1021/Acs.Jpca.8B12324 |
0.375 |
|
| 2019 |
Schatz GC, McCoy AB, Shea J, Murphy CJ, Scholes G, Batista V, Bhattacharyya K, Bisquert J, Crawford D, Cuk T, Dickson R, Fairbrother H, Forsyth M, Fourkas J, Geiger F, et al. The JPC Periodic Table The Journal of Physical Chemistry C. 123: 17063-17074. DOI: 10.1021/Acs.Jpcc.9B03462 |
0.449 |
|
| 2018 |
Duong CH, Yang N, Kelleher PJ, Johnson MA, DiRisio RJ, McCoy AB, Yu Q, Bowman JM, Henderson BV, Jordan KD. Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled HO Cation with Two-Color, IR-IR Double Resonance: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core. The Journal of Physical Chemistry. A. PMID 30351101 DOI: 10.1021/Acs.Jpca.8B08507 |
0.358 |
|
| 2018 |
Dzugan LC, DiRisio RJ, Madison LR, McCoy AB. Spectral signatures of proton delocalization in H(HO) ions. Faraday Discussions. PMID 30307461 DOI: 10.1039/C8Fd00120K |
0.399 |
|
| 2018 |
McDonald DC, Wagner JP, McCoy AB, Duncan MA. Near-Infrared Spectroscopy and Anharmonic Theory of Protonated Water Clusters: Higher Elevations in the Hydrogen Bonding Landscape. The Journal of Physical Chemistry Letters. 5664-5671. PMID 30205006 DOI: 10.1021/Acs.Jpclett.8B02499 |
0.332 |
|
| 2018 |
Dzugan LC, Matthews J, Sinha A, McCoy AB. Correction to "Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CHOOH and HOOH". The Journal of Physical Chemistry. A. PMID 29770695 DOI: 10.1021/Acs.Jpca.8B04048 |
0.327 |
|
| 2018 |
Nguyen D, Steimle TC, Kozyryev I, Huang M, McCoy AB. Fluorescence branching ratios and magnetic tuning of the visible spectrum of SrOH Journal of Molecular Spectroscopy. 347: 7-18. DOI: 10.1016/J.Jms.2018.02.007 |
0.316 |
|
| 2018 |
Opoku-Agyeman B, McCoy AB. Surface hopping study of the photodissociation dynamics of ICN− and BrCN− Chemical Physics Letters. 693: 101-106. DOI: 10.1016/J.Cplett.2018.01.011 |
0.339 |
|
| 2017 |
Huang M, Miller TA, McCoy AB, Hsu KH, Huang YH, Lee YP. Modeling the CH Stretch/Torsion/Rotation Couplings in Methyl Peroxy (CH3OO). The Journal of Physical Chemistry. A. PMID 29190423 DOI: 10.1021/Acs.Jpca.7B10784 |
0.336 |
|
| 2017 |
Dzugan LC, Matthews J, Sinha A, McCoy AB. Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CH3OOH and HOOH. The Journal of Physical Chemistry. A. 121: 9262-9274. PMID 29172536 DOI: 10.1021/Acs.Jpca.7B09778 |
0.404 |
|
| 2017 |
Duong CH, Gorlova O, Yang N, Kelleher PJ, Yu Q, McCoy AB, Bowman JM, Johnson MA. Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H(+)(H2O)3, with Two-Color IR-IR Photodissociation of the Bare Ion and Anharmonic VSCF/VCI Theory. The Journal of Physical Chemistry Letters. PMID 28737922 DOI: 10.1021/Acs.Jpclett.7B01599 |
0.402 |
|
| 2017 |
Craig SM, Menges FS, Duong CH, Denton JK, Madison LR, McCoy AB, Johnson MA. Hidden role of intermolecular proton transfer in the anomalously diffuse vibrational spectrum of a trapped hydronium ion. Proceedings of the National Academy of Sciences of the United States of America. PMID 28566495 DOI: 10.1073/Pnas.1705089114 |
0.396 |
|
| 2017 |
Fang Y, Barber VP, Klippenstein SJ, McCoy AB, Lester MI. Tunneling effects in the unimolecular decay of (CH3)2COO Criegee intermediates to OH radical products. The Journal of Chemical Physics. 146: 134307. PMID 28390384 DOI: 10.1063/1.4979297 |
0.334 |
|
| 2017 |
Yang N, Duong CH, Kelleher PJ, Johnson MA, McCoy AB. Isolation of site-specific anharmonicities of individual water molecules in the I − ·(H 2 O) 2 complex using tag-free, isotopomer selective IR-IR double resonance Chemical Physics Letters. 690: 159-171. DOI: 10.1016/J.Cplett.2017.09.042 |
0.329 |
|
| 2016 |
Fang Y, Liu F, Barber VP, Klippenstein SJ, McCoy AB, Lester MI. Deep tunneling in the unimolecular decay of CH3CHOO Criegee intermediates to OH radical products. The Journal of Chemical Physics. 145: 234308. PMID 28010089 DOI: 10.1063/1.4972015 |
0.366 |
|
| 2016 |
Wolke CT, Fournier JA, Dzugan LC, Fagiani MR, Odbadrakh TT, Knorke H, Jordan KD, McCoy AB, Asmis KR, Johnson MA. Spectroscopic snapshots of the proton-transfer mechanism in water. Science (New York, N.Y.). 354: 1131-1135. PMID 27934761 DOI: 10.1126/Science.Aaf8425 |
0.344 |
|
| 2016 |
Mauney DT, Mosley JD, Madison LR, McCoy AB, Duncan MA. Infrared spectroscopy and theory of the formaldehyde cation and its hydroxymethylene isomer. The Journal of Chemical Physics. 145: 174303. PMID 27825210 DOI: 10.1063/1.4966214 |
0.329 |
|
| 2016 |
Oliveira AM, Lehman JH, McCoy AB, Lineberger WC. Photoelectron spectroscopy of the hydroxymethoxide anion, H2C(OH)O(). The Journal of Chemical Physics. 145: 124317. PMID 27782682 DOI: 10.1063/1.4963225 |
0.378 |
|
| 2016 |
Brice JT, Liang T, Raston PL, McCoy AB, Douberly GE. Infrared Stark and Zeeman spectroscopy of OH-CO: The entrance channel complex along the OH + CO → trans-HOCO reaction pathway. The Journal of Chemical Physics. 145: 124310. PMID 27782679 DOI: 10.1063/1.4963226 |
0.408 |
|
| 2016 |
Gorlova O, DePalma JW, Wolke CT, Brathwaite A, Odbadrakh TT, Jordan KD, McCoy AB, Johnson MA. Characterization of the primary hydration shell of the hydroxide ion with H2 tagging vibrational spectroscopy of the OH(-) ⋅ (H2O)n=2,3 and OD(-) ⋅ (D2O)n=2,3 clusters. The Journal of Chemical Physics. 145: 134304. PMID 27782420 DOI: 10.1063/1.4962912 |
0.386 |
|
| 2016 |
Hsu KH, Huang YH, Lee YP, Huang M, Miller TA, McCoy AB. Manifestations of Torsion-CH Stretch Coupling in the Infrared Spectrum of CH3OO. The Journal of Physical Chemistry. A. PMID 26900645 DOI: 10.1021/Acs.Jpca.5B12334 |
0.379 |
|
| 2016 |
Oliveira AM, Lehman JH, McCoy AB, Lineberger WC. Photoelectron Spectroscopy of cis-Nitrous Acid Anion (cis-HONO(-)). The Journal of Physical Chemistry. A. PMID 26886478 DOI: 10.1021/Acs.Jpca.5B11797 |
0.322 |
|
| 2016 |
Fang Y, Liu F, Barber VP, Klippenstein SJ, McCoy AB, Lester MI. Communication: Real time observation of unimolecular decay of Criegee intermediates to OH radical products. The Journal of Chemical Physics. 144: 061102. PMID 26874475 DOI: 10.1063/1.4941768 |
0.307 |
|
| 2016 |
Ford JE, McCoy AB. Calculating rovibrationally excited states of H2D+ and HD 2+ by combination of fixed node and multi-state rotational diffusion Monte Carlo Chemical Physics Letters. 645: 15-19. DOI: 10.1016/J.Cplett.2015.12.030 |
0.404 |
|
| 2015 |
Wolke CT, DeBlase AF, Leavitt CM, McCoy AB, Johnson MA. On the Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2¯. The Journal of Physical Chemistry. A. PMID 26608571 DOI: 10.1021/Acs.Jpca.5B10649 |
0.385 |
|
| 2015 |
Lin Z, McCoy AB. Probing the Relationship between Large-Amplitude Motions in H5(+) and Proton Exchange Between H3(+) and H2. The Journal of Physical Chemistry. A. PMID 26244451 DOI: 10.1021/Acs.Jpca.5B05774 |
0.509 |
|
| 2015 |
Marlett ML, Lin Z, McCoy AB. Rotation/Torsion Coupling in H5(+), D5(+), H4D(+) and HD4(+) Using Diffusion Monte Carlo. The Journal of Physical Chemistry. A. PMID 26204429 DOI: 10.1021/Acs.Jpca.5B05773 |
0.574 |
|
| 2015 |
Kelleher PJ, Johnson CJ, Fournier JA, Johnson MA, McCoy AB. Persistence of dual free internal rotation in NH4(+)(H2O)·Hen=0-3 ion-molecule complexes: expanding the case for quantum delocalization in He tagging. The Journal of Physical Chemistry. A. 119: 4170-6. PMID 25867931 DOI: 10.1021/Acs.Jpca.5B03114 |
0.411 |
|
| 2015 |
Mosley JD, Young JW, Huang M, McCoy AB, Duncan MA. Infrared spectroscopy of the methanol cation and its methylene-oxonium isomer. The Journal of Chemical Physics. 142: 114301. PMID 25796243 DOI: 10.1063/1.4914146 |
0.37 |
|
| 2015 |
Fournier JA, Wolke CT, Johnson CJ, McCoy AB, Johnson MA. Comparison of the local binding motifs in the imidazolium-based ionic liquids [EMIM][BF4] and [EMMIM][BF4] through cryogenic ion vibrational predissociation spectroscopy: Unraveling the roles of anharmonicity and intermolecular interactions. The Journal of Chemical Physics. 142: 064306. PMID 25681905 DOI: 10.1063/1.4907199 |
0.34 |
|
| 2015 |
Wolke CT, Menges FS, Tötsch N, Gorlova O, Fournier JA, Weddle GH, Johnson MA, Heine N, Esser TK, Knorke H, Asmis KR, McCoy AB, Arismendi-Arrieta DJ, Prosmiti R, Paesani F. Thermodynamics of water dimer dissociation in the primary hydration shell of the iodide ion with temperature-dependent vibrational predissociation spectroscopy. The Journal of Physical Chemistry. A. 119: 1859-66. PMID 25647222 DOI: 10.1021/Jp510250N |
0.343 |
|
| 2015 |
Sarka J, Fábri C, Szidarovszky T, Császár AG, Lin Z, McCoy AB. Modelling rotations, vibrations, and rovibrational couplings in astructural molecules – a case study based on the H+ 5 molecular ion Molecular Physics. DOI: 10.1080/00268976.2015.1020074 |
0.534 |
|
| 2014 |
Liu F, Beames JM, Petit AS, McCoy AB, Lester MI. Infrared-driven unimolecular reaction of CH₃CHOO Criegee intermediates to OH radical products. Science (New York, N.Y.). 345: 1596-8. PMID 25258077 DOI: 10.1126/Science.1257158 |
0.702 |
|
| 2014 |
Opoku-Agyeman B, Case AS, Lehman JH, Lineberger WC, McCoy AB. Nonadiabatic photofragmentation dynamics of BrCN-. The Journal of Chemical Physics. 141: 084305. PMID 25173012 DOI: 10.1063/1.4892981 |
0.329 |
|
| 2014 |
Johnson CJ, Dzugan LC, Wolk AB, Leavitt CM, Fournier JA, McCoy AB, Johnson MA. Microhydration of contact ion pairs in M(2+)OH(-)(H2O)(n=1-5) (M = Mg, Ca) clusters: spectral manifestations of a mobile proton defect in the first hydration shell. The Journal of Physical Chemistry. A. 118: 7590-7. PMID 24874345 DOI: 10.1021/Jp504139J |
0.339 |
|
| 2014 |
Heine N, Kratz EG, Bergmann R, Schofield DP, Asmis KR, Jordan KD, McCoy AB. Vibrational spectroscopy of the water-nitrate complex in the O-H stretching region. The Journal of Physical Chemistry. A. 118: 8188-97. PMID 24746257 DOI: 10.1021/Jp500964J |
0.329 |
|
| 2014 |
McCoy AB. The role of electrical anharmonicity in the association band in the water spectrum. The Journal of Physical Chemistry. B. 118: 8286-94. PMID 24689771 DOI: 10.1021/Jp501647E |
0.34 |
|
| 2014 |
Lin Z, McCoy AB. The role of large-amplitude motions in the spectroscopy and dynamics of H₅⁺. The Journal of Chemical Physics. 140: 114305. PMID 24655178 DOI: 10.1063/1.4868098 |
0.54 |
|
| 2014 |
Petit AS, Ford JE, McCoy AB. Simultaneous evaluation of multiple rotationally excited states of H3(+), H3O(+), and CH5(+) using diffusion Monte Carlo. The Journal of Physical Chemistry. A. 118: 7206-20. PMID 24053598 DOI: 10.1021/Jp408821A |
0.727 |
|
| 2013 |
Martin JP, Case AS, Gu Q, Darr JP, McCoy AB, Lineberger WC. Photofragmentation dynamics of ICN(-)(CO2)n clusters following visible excitation. The Journal of Chemical Physics. 139: 064315. PMID 23947863 DOI: 10.1063/1.4817664 |
0.324 |
|
| 2013 |
DeBlase AF, Bloom S, Lectka T, Jordan KD, McCoy AB, Johnson MA. Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: Anharmonic analysis of protonated 1,8-disubstituted naphthalene ions. The Journal of Chemical Physics. 139: 024301. PMID 23862937 DOI: 10.1063/1.4810878 |
0.395 |
|
| 2013 |
Case AS, McCoy AB, Lineberger WC. Dynamics of small, ultraviolet-excited ICN- cluster anions. The Journal of Physical Chemistry. A. 117: 13310-8. PMID 23819777 DOI: 10.1021/Jp4051758 |
0.358 |
|
| 2013 |
Knurr BJ, McCoy AB, Weber JM. Vibrationally induced charge transfer in a bimolecular model complex in vacuo. The Journal of Chemical Physics. 138: 224301. PMID 23781789 DOI: 10.1063/1.4808048 |
0.322 |
|
| 2013 |
Sprague MK, Mertens LA, Widgren HN, Okumura M, Sander SP, McCoy AB. Cavity ringdown spectroscopy of the hydroxy-methyl-peroxy radical. The Journal of Physical Chemistry. A. 117: 10006-17. PMID 23641685 DOI: 10.1021/Jp400390Y |
0.403 |
|
| 2013 |
Lin Z, McCoy AB. Investigation of the structure and spectroscopy of H5(+) using diffusion Monte Carlo. The Journal of Physical Chemistry. A. 117: 11725-36. PMID 23560453 DOI: 10.1021/Jp4014652 |
0.575 |
|
| 2013 |
Petit AS, McCoy AB. Diffusion Monte Carlo in internal coordinates. The Journal of Physical Chemistry. A. 117: 7009-18. PMID 23410209 DOI: 10.1021/Jp312710U |
0.722 |
|
| 2013 |
Petit AS, Wellen BA, McCoy AB. Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: application to H2D+. The Journal of Chemical Physics. 138: 034105. PMID 23343266 DOI: 10.1063/1.4774318 |
0.727 |
|
| 2013 |
Leavitt CM, Deblase AF, Johnson CJ, Van Stipdonk M, McCoy AB, Johnson MA. Hiding in plain sight: Unmasking the diffuse spectral signatures of the protonated N-terminus in isolated dipeptides cooled in a cryogenic ion trap Journal of Physical Chemistry Letters. 4: 3450-3457. DOI: 10.1021/Jz401681Y |
0.406 |
|
| 2013 |
McCoy AB. Potential energy surfaces and properties of ICN- and ICN International Journal of Quantum Chemistry. 113: 366-374. DOI: 10.1002/Qua.24011 |
0.376 |
|
| 2012 |
Lin Z, McCoy AB. [Not Available]. The Journal of Physical Chemistry Letters. 3: 3690-6. PMID 26291097 DOI: 10.1021/Jz3017683 |
0.538 |
|
| 2012 |
Mosley JD, Cheng TC, McCoy AB, Duncan MA. Infrared spectroscopy of the mass 31 cation: protonated formaldehyde vs methoxy. The Journal of Physical Chemistry. A. 116: 9287-94. PMID 22946445 DOI: 10.1021/Jp3072298 |
0.314 |
|
| 2012 |
Roberts MA, Savage C, Dong F, Sharp-Williams EN, McCoy AB, Nesbitt DJ. Sub-Doppler infrared spectroscopy of CH2D radical in a slit supersonic jet: isotopic symmetry breaking in the CH stretching manifold. The Journal of Chemical Physics. 136: 234308. PMID 22779594 DOI: 10.1063/1.4717620 |
0.351 |
|
| 2012 |
Hinkle CE, McCoy AB. Isotopic effects on the dynamics of the CH3(+) + H2 → CH5(+) → CH3(+) + H2 reaction. The Journal of Physical Chemistry. A. 116: 4687-94. PMID 22530747 DOI: 10.1021/Jp3014157 |
0.332 |
|
| 2012 |
Gerardi HK, DeBlase AF, Leavitt CM, Su X, Jordan KD, McCoy AB, Johnson MA. Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2-, with vibrational and photoelectron spectroscopies. The Journal of Chemical Physics. 136: 134318. PMID 22482563 DOI: 10.1063/1.3693271 |
0.349 |
|
| 2012 |
McCoy AB, Guasco TL, Leavitt CM, Olesen SG, Johnson MA. Vibrational manifestations of strong non-Condon effects in the H3O(+)·X3 (X = Ar, N2, CH4, H2O) complexes: a possible explanation for the intensity in the "association band" in the vibrational spectrum of water. Physical Chemistry Chemical Physics : Pccp. 14: 7205-14. PMID 22378474 DOI: 10.1039/C2Cp24110B |
0.379 |
|
| 2012 |
Petit AS, Wellen BA, McCoy AB. Unraveling rotation-vibration mixing in highly fluxional molecules using diffusion Monte Carlo: applications to H3+ and H3O+. The Journal of Chemical Physics. 136: 074101. PMID 22360230 DOI: 10.1063/1.3681391 |
0.722 |
|
| 2012 |
Miller EM, Sheps L, Lu YJ, Case AS, McCoy AB, Lineberger WC. New view of the ICN A continuum using photoelectron spectroscopy of ICN-. The Journal of Chemical Physics. 136: 044313. PMID 22299877 DOI: 10.1063/1.3679170 |
0.383 |
|
| 2012 |
Case AS, Miller EM, Martin JP, Lu YJ, Sheps L, McCoy AB, Lineberger WC. Dynamic mapping of CN rotation following photoexcitation of ICN-. Angewandte Chemie (International Ed. in English). 51: 2651-3. PMID 22298354 DOI: 10.1002/Anie.201108025 |
0.359 |
|
| 2012 |
Lin Z, McCoy AB. Signatures of large-amplitude vibrations in the spectra of H5 + and D5+ Journal of Physical Chemistry Letters. 3: 3690-3696. DOI: 10.1021/jz3017683 |
0.454 |
|
| 2012 |
McCoy AB, Hinkle CE, Petit AS. Studying properties of floppy molecules using diffusion monte carlo Acs Symposium Series. 1094: 145-155. DOI: 10.1021/bk-2012-1094.ch012 |
0.636 |
|
| 2011 |
Vogelhuber KM, Wren SW, Shaffer CJ, McMahon RJ, McCoy AB, Lineberger WC. Photoelectron spectroscopy of HC4N-. The Journal of Chemical Physics. 135: 204307. PMID 22128935 DOI: 10.1063/1.3663617 |
0.305 |
|
| 2011 |
Sheps L, Miller EM, Horvath S, Thompson MA, Parson R, McCoy AB, Lineberger WC. Solvent-mediated charge redistribution in photodissociation of IBr(-) and IBr(-)(CO2). The Journal of Chemical Physics. 134: 184311. PMID 21568510 DOI: 10.1063/1.3584203 |
0.372 |
|
| 2011 |
Vogelhuber KM, Wren SW, McCoy AB, Ervin KM, Lineberger WC. Photoelectron spectra of dihalomethyl anions: testing the limits of normal mode analysis. The Journal of Chemical Physics. 134: 184306. PMID 21568505 DOI: 10.1063/1.3585606 |
0.346 |
|
| 2011 |
Darr JP, Loomis RA, Ray-Helmus SE, McCoy AB. Probing the dependence of long-range, four-atom interactions on intermolecular orientation: 3. Hydrogen and iodine. The Journal of Physical Chemistry. A. 115: 7368-77. PMID 21568302 DOI: 10.1021/Jp201549D |
0.384 |
|
| 2011 |
Guasco TL, Johnson MA, McCoy AB. Unraveling anharmonic effects in the vibrational predissociation spectra of H5O2(+) and its deuterated analogues. The Journal of Physical Chemistry. A. 115: 5847-58. PMID 21214227 DOI: 10.1021/Jp109999B |
0.405 |
|
| 2011 |
Gerardi HK, DeBlase AF, Su X, Jordan KD, McCoy AB, Johnson MA. Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO2¯, DCO2¯, and HCO2¯·H2O Ions The Journal of Physical Chemistry Letters. 2: 2437-2441. DOI: 10.1021/Jz200937V |
0.332 |
|
| 2011 |
Hinkle CE, Petit AS, McCoy AB. Diffusion Monte Carlo studies of low energy ro-vibrational states of CH 5 + and its deuterated isotopologues Journal of Molecular Spectroscopy. 268: 189-198. DOI: 10.1016/J.Jms.2011.04.024 |
0.732 |
|
| 2011 |
McCoy AB. Curious properties of the Morse oscillator Chemical Physics Letters. 501: 603-607. DOI: 10.1016/J.Cplett.2010.11.065 |
0.3 |
|
| 2010 |
Horvath S, Pitzer RM, McCoy AB. Theoretical investigations of the time-resolved photodissociation dynamics of IBr(-). The Journal of Physical Chemistry. A. 114: 11337-46. PMID 20712343 DOI: 10.1021/Jp1051529 |
0.323 |
|
| 2010 |
Sheps L, Miller EM, Horvath S, Thompson MA, Parson R, McCoy AB, Lineberger WC. Solvent-mediated electron hopping: long-range charge transfer in IBr-(CO2) photodissociation. Science (New York, N.Y.). 328: 220-4. PMID 20203015 DOI: 10.1126/Science.1184616 |
0.311 |
|
| 2010 |
Relph RA, Guasco TL, Elliott BM, Kamrath MZ, McCoy AB, Steele RP, Schofield DP, Jordan KD, Viggiano AA, Ferguson EE, Johnson MA. How the shape of an H-bonded network controls proton-coupled water activation in HONO formation. Science (New York, N.Y.). 327: 308-12. PMID 20075247 DOI: 10.1126/Science.1177118 |
0.3 |
|
| 2010 |
Horvath S, McCoy AB, Elliott BM, Weddle GH, Roscioli JR, Johnson MA. Anharmonicities and isotopic effects in the vibrational spectra of X-.H2O, .HDO, and .D2O [X = Cl, Br, and I] binary complexes. The Journal of Physical Chemistry. A. 114: 1556-68. PMID 20025227 DOI: 10.1021/Jp9088782 |
0.397 |
|
| 2010 |
McCoy AB, Sprague MK, Okumura M. The role of torsion/torsion coupling in the vibrational spectrum of cis-cis HOONO. The Journal of Physical Chemistry. A. 114: 1324-33. PMID 19860461 DOI: 10.1021/Jp905731H |
0.399 |
|
| 2010 |
Soloveichik P, O'Donnell BA, Lester MI, Francisco JS, McCoy AB. Infrared spectrum and stability of the H2O-HO complex: experiment and theory. The Journal of Physical Chemistry. A. 114: 1529-38. PMID 19831340 DOI: 10.1021/Jp907885D |
0.39 |
|
| 2010 |
Hinkle CE, McCoy AB. Minimum energy path diffusion monte carlo approach for investigating anharmonic quantum effects: Applications to the CH+ 3 + H2 reaction Journal of Physical Chemistry Letters. 1: 562-567. DOI: 10.1021/Jz900300U |
0.373 |
|
| 2009 |
Petit AS, McCoy AB. Diffusion Monte Carlo approaches for evaluating rotationally excited states of symmetric top molecules: application to H(3)O(+) and D(3)O(+). The Journal of Physical Chemistry. A. 113: 12706-14. PMID 19678634 DOI: 10.1021/Jp905098K |
0.723 |
|
| 2009 |
McCoy AB, Diken EG, Johnson MA. Generating spectra from ground-state wave functions: unraveling anharmonic effects in the OH- x H2O vibrational predissociation spectrum. The Journal of Physical Chemistry. A. 113: 7346-52. PMID 19317414 DOI: 10.1021/Jp811352C |
0.403 |
|
| 2009 |
Gardenier GH, Johnson MA, McCoy AB. Spectroscopic study of the ion-radical H-bond in H4O2+. The Journal of Physical Chemistry. A. 113: 4772-9. PMID 19298047 DOI: 10.1021/Jp811493S |
0.363 |
|
| 2009 |
Hinkle CE, McCoy AB. Theoretical investigations of mode mixing in vibrationally excited states of CH5+. The Journal of Physical Chemistry. A. 113: 4587-97. PMID 19290587 DOI: 10.1021/Jp8112733 |
0.331 |
|
| 2009 |
McCoy AB, Krylov AI, Victoria B. Preface to the robert benny gerber festschrift Journal of Physical Chemistry A. 113: 7161-7162. DOI: 10.1021/Jp902677A |
0.435 |
|
| 2008 |
Horvath S, McCoy AB, Roscioli JR, Johnson MA. Vibrationally induced proton transfer in F- (H2O) and F- (D2O). The Journal of Physical Chemistry. A. 112: 12337-44. PMID 18991426 DOI: 10.1021/Jp805616M |
0.385 |
|
| 2008 |
Chen F, McCoy AB. Quantum/classical studies of vibrationally mediated photodissociation of Ar x H2O. The Journal of Physical Chemistry. A. 112: 9477-82. PMID 18707180 DOI: 10.1021/Jp8027287 |
0.356 |
|
| 2008 |
Darr JP, Loomis RA, McCoy AB. Probing the dependence of long-range, four-atom interactions on intermolecular orientation: 2. Molecular deuterium and iodine monochloride. The Journal of Physical Chemistry. A. 112: 9494-502. PMID 18707060 DOI: 10.1021/Jp802917F |
0.32 |
|
| 2008 |
Deskevich MP, McCoy AB, Hutson JM, Nesbitt DJ. Large-amplitude quantum mechanics in polyatomic hydrides. II. A particle-on-a-sphere model for XH(n) (n=4,5). The Journal of Chemical Physics. 128: 094306. PMID 18331092 DOI: 10.1063/1.2828478 |
0.788 |
|
| 2008 |
Hinkle CE, McCoy AB. Characterizing excited states of CH5+ with diffusion Monte Carlo. The Journal of Physical Chemistry. A. 112: 2058-64. PMID 18251525 DOI: 10.1021/Jp709828V |
0.384 |
|
| 2008 |
McCunn LR, Roscioli JR, Johnson MA, McCoy AB. An H/D isotopic substitution study of the H5O2+.Ar vibrational predissociation spectra: exploring the putative role of Fermi resonances in the bridging proton fundamentals. The Journal of Physical Chemistry. B. 112: 321-7. PMID 17918890 DOI: 10.1021/Jp075289M |
0.393 |
|
| 2007 |
Just GM, McCoy AB, Miller TA. Effect of methyl rotation on the electronic spectrum of the methyl peroxy radical. The Journal of Chemical Physics. 127: 044310. PMID 17672693 DOI: 10.1063/1.2747613 |
0.325 |
|
| 2007 |
Barbera J, Horvath S, Dribinski V, McCoy AB, Lineberger WC. Femtosecond dynamics of Cu(CD3OD). The Journal of Chemical Physics. 126: 084307. PMID 17343448 DOI: 10.1063/1.2464103 |
0.306 |
|
| 2006 |
Ray SE, McCoy AB, Glennon JJ, Darr JP, Fesser EJ, Lancaster JR, Loomis RA. Experimental and theoretical investigations of the He...I2 rovibronic spectra in the I2 B-X, 20-0 region. The Journal of Chemical Physics. 125: 164314. PMID 17092080 DOI: 10.1063/1.2363378 |
0.386 |
|
| 2006 |
Johnson LM, McCoy AB. Evolution of structure in CH5 + and its deuterated analogues. The Journal of Physical Chemistry. A. 110: 8213-20. PMID 16805509 DOI: 10.1021/Jp061675C |
0.353 |
|
| 2006 |
Vissers GW, McCoy AB. Time-dependent wave packet studies on the Cl + HCl hydrogen exchange reaction. The Journal of Physical Chemistry. A. 110: 5978-81. PMID 16671664 DOI: 10.1021/Jp061196D |
0.369 |
|
| 2006 |
Li EX, Konen IM, Lester MI, McCoy AB. Spectroscopic characterization of peroxynitrous acid in cis-perp configurations. The Journal of Physical Chemistry. A. 110: 5607-12. PMID 16640353 DOI: 10.1021/Jp056959W |
0.359 |
|
| 2006 |
López JG, McCoy AB. Photoelectron spectra of Ar(n).(IHI)- (n = 0-6, 12, 20), a theoretical study. The Journal of Physical Chemistry. A. 110: 5450-7. PMID 16623474 DOI: 10.1021/Jp055962C |
0.605 |
|
| 2006 |
Roscioli JR, Diken EG, Johnson MA, Horvath S, McCoy AB. Prying apart a water molecule with anionic H-bonding: a comparative spectroscopic study of the X-.H2O (X = OH, O, F, Cl, and Br) binary complexes in the 600-3800 cm(-1) region. The Journal of Physical Chemistry. A. 110: 4943-52. PMID 16610811 DOI: 10.1021/Jp056022V |
0.355 |
|
| 2006 |
Huang X, Johnson LM, Bowman JM, McCoy AB. Deuteration effects on the structure and infrared spectrum of CH5(+). Journal of the American Chemical Society. 128: 3478-9. PMID 16536495 DOI: 10.1021/Ja057514O |
0.376 |
|
| 2006 |
Huang X, McCoy AB, Bowman JM, Johnson LM, Savage C, Dong F, Nesbitt DJ. Quantum deconstruction of the infrared spectrum of CH5+. Science (New York, N.Y.). 311: 60-3. PMID 16400143 DOI: 10.1126/Science.1121166 |
0.372 |
|
| 2006 |
McCoy AB. Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems International Reviews in Physical Chemistry. 25: 77-107. DOI: 10.1080/01442350600679347 |
0.429 |
|
| 2005 |
Diken EG, Headrick JM, Roscioli JR, Bopp JC, Johnson MA, McCoy AB. Fundamental excitations of the shared proton in the H3O2- and H5O2+ complexes. The Journal of Physical Chemistry. A. 109: 1487-90. PMID 16833469 DOI: 10.1021/Jp044155V |
0.367 |
|
| 2005 |
López JG, McCoy AB. Transition state dynamics of Ar(n).(IHI) (n = 0-20). The Journal of Physical Chemistry. A. 109: 1272-8. PMID 16833440 DOI: 10.1021/Jp045862R |
0.606 |
|
| 2005 |
Diken EG, Headrick JM, Roscioli JR, Bopp JC, Johnson MA, McCoy AB, Huang X, Carter S, Bowman JM. Argon predissociation spectroscopy of the OH-.H2O and Cl-.H2O complexes in the 1000-1900 cm(-1) region: intramolecular bending transitions and the search for the shared-proton fundamental in the hydroxide monohydrate. The Journal of Physical Chemistry. A. 109: 571-5. PMID 16833381 DOI: 10.1021/Jp045612A |
0.392 |
|
| 2005 |
Boucher DS, Strasfeld DB, Loomis RA, Herbert JM, Ray SE, McCoy AB. Stabilization and rovibronic spectra of the T-shaped and linear ground-state conformers of a weakly bound rare-gas-homonuclear dihalogen complex: He...Br2. The Journal of Chemical Physics. 123: 104312. PMID 16178602 DOI: 10.1063/1.2006675 |
0.556 |
|
| 2005 |
McCoy AB, Huang X, Carter S, Bowman JM. Quantum studies of the vibrations in H3O2- and D3O2-. The Journal of Chemical Physics. 123: 64317. PMID 16122318 DOI: 10.1063/1.2001654 |
0.399 |
|
| 2005 |
Hammer NI, Diken EG, Roscioli JR, Johnson MA, Myshakin EM, Jordan KD, McCoy AB, Huang X, Bowman JM, Carter S. The vibrational predissociation spectra of the H5O2 +RGn(RG = Ar,Ne) clusters: correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion. The Journal of Chemical Physics. 122: 244301. PMID 16035751 DOI: 10.1063/1.1927522 |
0.389 |
|
| 2005 |
Whitney ES, Zolot AM, McCoy AB, Francisco JS, Nesbitt DJ. Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5. The Journal of Chemical Physics. 122: 124310. PMID 15836381 DOI: 10.1063/1.1868553 |
0.376 |
|
| 2005 |
McCoy AB, Fry JL, Francisco JS, Mollner AK, Okumura M. Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO. The Journal of Chemical Physics. 122: 104311. PMID 15836319 DOI: 10.1063/1.1859273 |
0.384 |
|
| 2005 |
McCoy AB, Huang X, Carter S, Landeweer MY, Bowman JM. Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface. The Journal of Chemical Physics. 122: 061101. PMID 15740358 DOI: 10.1063/1.1857472 |
0.411 |
|
| 2005 |
Darr JP, Loomis RA, McCoy AB. The dissociation dynamics of He...I 35Cl(B,v'=2,3) complexes with varying amounts of internal energy. The Journal of Chemical Physics. 122: 44318. PMID 15740259 DOI: 10.1063/1.1829971 |
0.399 |
|
| 2005 |
López JG, McCoy AB. Classical treatments of quantum mechanical effects in collisions of weakly bound complexes Chemical Physics. 308: 267-276. DOI: 10.1016/J.Chemphys.2004.03.025 |
0.585 |
|
| 2004 |
Sanford T, Andrews D, Rathbone J, Taylor M, Muntean F, Thompson M, McCoy AB, Parson R, Lineberger WC. Time resolved solvent rearrangement dynamics. Faraday Discussions. 127: 383-94. PMID 15471355 DOI: 10.1039/B316330J |
0.336 |
|
| 2004 |
Taylor MS, Muntean F, Lineberger WC, McCoy AB. A theoretical and computational study of the anion, neutral, and cation Cu(H(2)O) complexes. The Journal of Chemical Physics. 121: 5688-99. PMID 15366992 DOI: 10.1063/1.1782191 |
0.354 |
|
| 2004 |
Muntean F, Taylor MS, McCoy AB, Lineberger WC. Femtosecond study of Cu(H(2)O) dynamics. The Journal of Chemical Physics. 121: 5676-87. PMID 15366991 DOI: 10.1063/1.1782176 |
0.334 |
|
| 2004 |
Brown A, McCoy AB, Braams BJ, Jin Z, Bowman JM. Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach. The Journal of Chemical Physics. 121: 4105-16. PMID 15332956 DOI: 10.1063/1.1775767 |
0.403 |
|
| 2004 |
McCoy AB, Darr JP, Boucher DS, Winter PR, Bradke MD, Loomis RA. Combined experimental/theoretical investigation of the He+ICl interactions. I. Rovibronic spectrum of He...ICl complexes in the ICl B-X, 3-0 region. The Journal of Chemical Physics. 120: 2677-85. PMID 15268411 DOI: 10.1063/1.1636693 |
0.398 |
|
| 2004 |
Boucher DS, Darr JP, Bradke MD, Loomis RA, McCoy AB. A combined experimental/theoretical investigation of the He + ICl interactions: Determination of the binding energies of the T-shaped and linear He⋯I35Cl(X,ν″ = 0) conformers Physical Chemistry Chemical Physics. 6: 5275-5282. DOI: 10.1039/B411914B |
0.302 |
|
| 2004 |
McCoy AB, Braams BJ, Brown A, Huang X, Jin Z, Bowman JM. Ab initio diffusion monte carlo calculations of the quantum behavior of CH 5 + in full dimensionality Journal of Physical Chemistry A. 108: 4991-4994. DOI: 10.1021/Jp0487096 |
0.353 |
|
| 2004 |
Ellison GB, Herbert JM, McCoy AB, Stanton JF, Szalay PG. Unimolecular rearrangement of trans-FONO to FNO 2. A possible model system for atmospheric nitrate formation Journal of Physical Chemistry A. 108: 7639-7642. DOI: 10.1021/Jp047220+ |
0.496 |
|
| 2003 |
Wang L, McCoy AB. Quantum/classical studies of O(3P)+Ar·HCl collision dynamics Journal of Chemical Physics. 119: 1996-2003. DOI: 10.1063/1.1582846 |
0.302 |
|
| 2003 |
Chen F, McCoy AB. Multiple-configuration quantum/classical studies of the photodissociation dynamics of H2O Journal of Physical Chemistry A. 107: 7220-7229. DOI: 10.1021/Jp034498D |
0.325 |
|
| 2003 |
Auer BM, McCoy AB. Using diffusion Monte Carlo to evaluate the initial conditions for classical studies of the photodissociation dynamics of HCl dimer Journal of Physical Chemistry A. 107: 4-12. DOI: 10.1021/Jp021826L |
0.343 |
|
| 2002 |
Lee HS, McCoy AB. Theoretical studies of the vibrational states of Ne2SH and Ne2OH (Ã2Σ+) Journal of Chemical Physics. 116: 9677-9689. DOI: 10.1063/1.1471238 |
0.569 |
|
| 2002 |
Lee HS, McCoy AB. Theoretical studies of rotational and spin-orbit predissociation of the Ne·XH (X̃2Π, X = O,S) van der Waals complexes Physical Chemistry Chemical Physics. 4: 1564-1570. DOI: 10.1039/B110963D |
0.535 |
|
| 2001 |
McCoy AB, Wang L, Chen F. Quantum/classical studies of photodissociation and reaction dynamics in clusters. Faraday Discussions. 281-94; discussion 2. PMID 11605272 DOI: 10.1039/B009404H |
0.319 |
|
| 2001 |
Lee HS, McCoy AB. Quantum Monte Carlo studies of the structure and spectroscopy of NenOH (Ã2∑+, n=1-4) van der Waals complexes Journal of Chemical Physics. 114: 10278. DOI: 10.1063/1.1372185 |
0.569 |
|
| 2001 |
McCoy AB. Investigating the adiabatic approximation in quantummechanics through the analysis of two coupled harmonic oscillators Journal of Chemical Education. 78: 401-404. DOI: 10.1021/Ed078P401 |
0.334 |
|
| 2000 |
Duan YB, McCoy AB. Global Fit of Torsion-Rotational Transitions in the First Three Torsional States of CH(3)OD. Journal of Molecular Spectroscopy. 199: 302-306. PMID 10637116 DOI: 10.1006/Jmsp.1999.8025 |
0.321 |
|
| 2000 |
Duan YB, McCoy AB, Wang L, Takagi K. Molecular parameters for 12C and 13C-methanol isotopomers with O-16, 17, and 18 Journal of Chemical Physics. 112: 212-219. DOI: 10.1063/1.480573 |
0.32 |
|
| 2000 |
Wang L, Meurer WJ, McCoy AB. Multiple configuration quantum/classical treatments of reaction dynamics Journal of Chemical Physics. 113: 10605-10614. DOI: 10.1063/1.1317549 |
0.307 |
|
| 2000 |
Lee H, McCoy AB, Toczyłowski RR, Cybulski SM. Theoretical studies of the X̃ 2Π and à 2Σ+ states of the He⋅OH and Ne⋅OH complexes Journal of Chemical Physics. 113: 5736-5749. DOI: 10.1063/1.1290605 |
0.551 |
|
| 2000 |
Lavender HB, McCoy AB. Transition state dynamics of Arn(ClHCl) (n = 0-5): Effects of complex formation on the dynamics and spectroscopy Journal of Physical Chemistry A. 104: 644-651. DOI: 10.1021/Jp993027H |
0.333 |
|
| 2000 |
Carter CC, Lee HS, McCoy AB, Miller TA. The structure of floppy molecules: The Rg.Xh/D (Rg = Ar, Ne, and Kr, X = O or S) family of complexes Journal of Molecular Structure. 525: 1-45. DOI: 10.1016/S0022-2860(00)00495-6 |
0.516 |
|
| 2000 |
McCoy AB. Diffusion quantum Monte Carlo on multiple-potential surfaces Chemical Physics Letters. 321: 71-77. DOI: 10.1016/S0009-2614(00)00313-4 |
0.383 |
|
| 1999 |
McCoy AB, Naaman R. Reactions of oxygen atoms with van der Waals molecules in crossed molecular beams International Reviews in Physical Chemistry. 18: 459-484. DOI: 10.1080/014423599229893 |
0.311 |
|
| 1999 |
Lee HS, McCoy AB, Harding LB, Carter CC, Miller TA. An empirical potential energy surface for the Ne-OH/D complexes Journal of Chemical Physics. 111: 10053-10060. DOI: 10.1063/1.480391 |
0.54 |
|
| 1999 |
Lee HS, Herbert JM, McCoy AB. Structure and spectroscopy of NenSH (Ã2∑+) complexes using adiabatic diffusion Monte Carlo (ADMC) Journal of Chemical Physics. 111: 9203-9212. DOI: 10.1063/1.479834 |
0.635 |
|
| 1999 |
Wang L, Kalyanaraman C, McCoy AB. Time-dependent quantum studies of the O(3P)+ HCl(X1Σ+) reaction Journal of Chemical Physics. 110: 11221-11232. DOI: 10.1063/1.479063 |
0.335 |
|
| 1999 |
Lee HS, Herbert JM, McCoy AB. Adiabatic diffusion Monte Carlo approaches for studies of ground and excited state properties of van der Waals complexes Journal of Chemical Physics. 110: 5481-5484. DOI: 10.1063/1.478444 |
0.644 |
|
| 1999 |
Carter CC, Miller TA, Lee HS, McCoy AB, Hayes EF. High resolution electronic spectroscopy and an empirical potential energy surface for Ne·SH/D Journal of Chemical Physics. 110: 5065-5078. DOI: 10.1063/1.478395 |
0.53 |
|
| 1999 |
Wu XT, Hayes EF, McCoy AB. Rotation-vibration interactions in (HF)2. II. Rotation-vibration interactions in low-lying vibrational states Journal of Chemical Physics. 110: 2365-2375. DOI: 10.1063/1.478235 |
0.394 |
|
| 1999 |
Carter CC, Miller TA, Lee HS, Korambath PP, McCoy AB, Hayes EF. High resolution electronic spectroscopy of Kr·OH/D and an empirical potential energy surface Journal of Chemical Physics. 110: 1508-1520. DOI: 10.1063/1.478024 |
0.528 |
|
| 1999 |
Wu XT, McCoy AB, Hayes EF. Rotation-vibration interactions in (HF)2.I. Using parallel supercomputers to calculate rotation-vibration energy levels Journal of Chemical Physics. 110: 2354-2364. DOI: 10.1063/1.477971 |
0.36 |
|
| 1998 |
McCoy AB. Theoretical investigations of the lifetime of SH and SD (Ã2Σ+) in M⋯SH/D (M=Ne,Ar,Kr) complexes Journal of Chemical Physics. 109: 170-176. DOI: 10.1063/1.476546 |
0.376 |
|
| 1998 |
McCoy AB, Lufaso MW, Veneziani M, Atrill S, Naaman R. Reactions of oxygen atoms with van der Waals complexes: The effect of complex formation on the internal energy distribution in the products Journal of Chemical Physics. 108: 9651-9657. DOI: 10.1063/1.476441 |
0.326 |
|
| 1998 |
Lufaso MW, McCoy AB. Effects of complex formation on reactions of oxygen with HCl and Ar-HCl Chemical Physics. 239: 187-197. DOI: 10.1016/S0301-0104(98)00277-8 |
0.321 |
|
| 1998 |
McCoy AB. Comparison of self-consistent field treatments of kinetic couplings in calculations on polyatomic molecules Chemical Physics Letters. 293: 103-109. DOI: 10.1016/S0009-2614(98)00714-3 |
0.346 |
|
| 1997 |
Hurwitz Y, Stern PS, Naaman R, McCoy AB. Reactivity induced by complex formation: The reaction of O(3P) with HCI dimers Journal of Chemical Physics. 106: 2627-2633. DOI: 10.1063/1.473411 |
0.322 |
|
| 1996 |
Sibert EL, McCoy AB. Quantum, semiclassical and classical dynamics of the bending modes of acetylene Journal of Chemical Physics. 105: 469-478. DOI: 10.1063/1.471900 |
0.602 |
|
| 1996 |
McCoy AB, Sibert EL. The bending dynamics of acetylene Journal of Chemical Physics. 105: 459-468. DOI: 10.1063/1.471899 |
0.642 |
|
| 1996 |
Burleigh DC, McCoy AB, Sibert EL. An accurate quartic force field for formaldehyde Journal of Chemical Physics. 104: 480-487. DOI: 10.1063/1.471531 |
0.605 |
|
| 1995 |
McCoy AB. Transition state dynamics of X + HX reactions using the time-dependent self-consistent field approximation Molecular Physics. 85: 965-979. DOI: 10.1080/00268979500101591 |
0.337 |
|
| 1995 |
McCoy AB. Transition state dynamics of chemical reactions in clusters: A six‐dimensional study of Ar(ClHCl) Journal of Chemical Physics. 103: 986-998. DOI: 10.1063/1.469799 |
0.364 |
|
| 1994 |
Vegiri A, Alexander MH, Gregurick S, McCoy AB, Gerber RB. Quantum Monte Carlo studies of small B(H2)nclusters The Journal of Chemical Physics. 101: 2577-2591. DOI: 10.1063/1.468432 |
0.765 |
|
| 1992 |
McCoy AB, Sibert EL. An algebraic approach to calculating rotation-vibration spectra of polyatomic molecules Molecular Physics. 77: 697-708. DOI: 10.1080/00268979200102711 |
0.627 |
|
| 1992 |
McCoy AB, Sibert EL. Determining potential-energy surfaces from spectra: An iterative approach The Journal of Chemical Physics. 97: 2938-2947. DOI: 10.1063/1.463035 |
0.635 |
|
| 1991 |
McCoy AB, Burleigh DC, Sibert EL. Rotation-vibration interactions in highly excited states of SO2 and H2CO The Journal of Chemical Physics. 95: 7449-7465. DOI: 10.1063/1.461371 |
0.645 |
|
| 1991 |
McCoy AB, Sibert EL. Calculation of infrared intensities of highly excited vibrational states of HCN using Van Vleck perturbation theory The Journal of Chemical Physics. 95: 3488-3493. DOI: 10.1063/1.460851 |
0.626 |
|
| 1991 |
McCoy AB, Sibert EL. Perturbative calculations of vibrational (J=0) energy levels of linear molecules in normal coordinate representations The Journal of Chemical Physics. 95: 3476-3487. DOI: 10.1063/1.460850 |
0.636 |
|
| 1990 |
McCoy AB, Silbert EL. Perturbative approaches to highly excited molecular vibrations of H2O, D2O, and HDO Journal of Chemical Physics. 92: 1893-1901. DOI: 10.1063/1.458071 |
0.388 |
|
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