| Year |
Citation |
Score |
| 2020 |
Kwon H, Etz BD, Montgomery M, Messerly R, Shabnam S, Vyas S, van Duin ACT, Mcenally CS, Pfefferle LD, Kim S, Xuan Y. Reactive Molecular Dynamics Simulations and Quantum Chemistry Calculations to Investigate Soot-Relevant Reaction Pathways for Hexylamine Isomers. The Journal of Physical Chemistry. A. PMID 32364731 DOI: 10.1021/Acs.Jpca.0C03355 |
0.327 |
|
| 2020 |
Etz BD, DuClos JM, Vyas S. Investigating the Photochemistry of C7 and C8 Functionalized N(5)-Ethyl-Flavinium Cation: A Computational Study. The Journal of Physical Chemistry. A. PMID 32337990 DOI: 10.1021/Acs.Jpca.0C01938 |
0.384 |
|
| 2019 |
Franjesevic AJ, Sillart SB, Beck JM, Vyas S, Callam CS, Hadad CM. Frontispiece: Resurrection and Reactivation of Acetylcholinesterase and Butyrylcholinesterase Chemistry – a European Journal. 25. DOI: 10.1002/Chem.201982161 |
0.64 |
|
| 2018 |
Van Hoomissen DJ, Vyas S. 1,2-H Atom Rearrangements in Benzyloxyl Radicals. The Journal of Physical Chemistry. A. PMID 30512957 DOI: 10.1021/Acs.Jpca.8B10286 |
0.361 |
|
| 2018 |
Franjesevic AJ, Sillart SB, Beck JM, Vyas S, Callam CS, Hadad CM. Resurrection and Reactivation of Acetylcholinesterase and Butyrylcholinesterase. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30444932 DOI: 10.1002/Chem.201805075 |
0.658 |
|
| 2018 |
Bharadwaj VS, Vyas S, Villano SM, Maupin CM, Dean AM. Correction: Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism - a gas-phase ab initio study. Physical Chemistry Chemical Physics : Pccp. 20: 9671. PMID 29616253 DOI: 10.1039/c8cp90064g |
0.733 |
|
| 2017 |
Van Hoomissen DJ, Vyas S. 1,2-Fluorine Radical Rearrangements: Isomerization Events in Perfluorinated Radicals. The Journal of Physical Chemistry. A. PMID 29039951 DOI: 10.1021/Acs.Jpca.7B08895 |
0.324 |
|
| 2017 |
Lin F, Cojocaru BE, Williams LS, Cadigan CA, Tian C, Grecu MN, Xin HL, Vyas S, Parvulescu VI, Richards RM. Intermediate selectivity in the oxidation of phenols using plasmonic Au/ZnO photocatalysts. Nanoscale. PMID 28656184 DOI: 10.1039/C7Nr03868B |
0.308 |
|
| 2017 |
Motz AR, Herring AM, Vyas S, Maupin CM. Quantum Mechanical Study of the Reaction Mechanism for 2π-2π Cycloaddition of Fluorinated Methylene Groups. The Journal of Organic Chemistry. PMID 28548848 DOI: 10.1021/Acs.Joc.7B00597 |
0.391 |
|
| 2017 |
Van Hoomissen DJ, Vyas S. Impact of Conjugation and Hyperconjugation on the Radical Stability of Allylic and Benzylic Systems: A Theoretical Study. The Journal of Organic Chemistry. PMID 28493696 DOI: 10.1021/Acs.Joc.7B00549 |
0.329 |
|
| 2015 |
Bharadwaj VS, Vyas S, Villano SM, Maupin CM, Dean AM. Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism--a gas-phase ab initio study. Physical Chemistry Chemical Physics : Pccp. 17: 4054-66. PMID 25566585 DOI: 10.1039/C4Cp04317K |
0.753 |
|
| 2014 |
Vyas S, Dreyer C, Slingsby J, Bicknase D, Porter JM, Maupin CM. Electronic structure and spectroscopic analysis of 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ion pair. The Journal of Physical Chemistry. A. 118: 6873-82. PMID 25083824 DOI: 10.1021/Jp5035689 |
0.419 |
|
| 2014 |
Porter JM, Dreyer CB, Bicknase D, Vyas S, Mark Maupin C, Poshusta J, Martin J. Optical measurements of impurities in room-temperature ionic liquids Journal of Quantitative Spectroscopy and Radiative Transfer. 133: 300-310. DOI: 10.1016/J.Jqsrt.2013.08.015 |
0.335 |
|
| 2013 |
Yang X, Walpita J, Zhou D, Luk HL, Vyas S, Khnayzer RS, Tiwari SC, Diri K, Hadad CM, Castellano FN, Krylov AI, Glusac KD. Toward organic photohydrides: excited-state behavior of 10-methyl-9-phenyl-9,10-dihydroacridine. The Journal of Physical Chemistry. B. 117: 15290-6. PMID 23659655 DOI: 10.1021/Jp401770E |
0.783 |
|
| 2013 |
Hermann K, Sardini S, Ruan Y, Yoder RJ, Chakraborty M, Vyas S, Hadad CM, Badji? JD. Method for the preparation of derivatives of heptiptycene: toward dual-cavity baskets. The Journal of Organic Chemistry. 78: 2984-91. PMID 23445206 DOI: 10.1021/Jo3027998 |
0.531 |
|
| 2013 |
Luechapanichkul R, Chen X, Taha HA, Vyas S, Guan X, Freitas MA, Hadad CM, Pei D. Specificity profiling of dual specificity phosphatase vaccinia VH1-related (VHR) reveals two distinct substrate binding modes. The Journal of Biological Chemistry. 288: 6498-510. PMID 23322772 DOI: 10.1074/Jbc.M112.449611 |
0.482 |
|
| 2013 |
Burdzinski G, Kubicki J, Sliwa M, Réhault J, Zhang Y, Vyas S, Luk HL, Hadad CM, Platz MS. Mechanistic aspects of ketene formation deduced from femtosecond photolysis of diazocyclohexadienone, o-phenylene thioxocarbonate, and 2-chlorophenol. The Journal of Organic Chemistry. 78: 2026-32. PMID 23190449 DOI: 10.1021/Jo302023A |
0.781 |
|
| 2013 |
Fretz SJ, Hadad CM, Hart DJ, Vyas S, Yang D. Birch reductive alkylation of methyl m-(hydroxymethyl)benzoate derivatives and the behavior of o- and p-(hydroxymethyl)benzoates under reductive alkylation conditions. The Journal of Organic Chemistry. 78: 83-92. PMID 23106774 DOI: 10.1021/Jo301872N |
0.523 |
|
| 2013 |
Vyas S, Winter AH, Hadad CM. Theory and Computation in the Study of Nitrenes and their Excited-State Photoprecursors Nitrenes and Nitrenium Ions. 33-76. DOI: 10.1002/9781118560907.ch2 |
0.716 |
|
| 2012 |
Muthukrishnan S, Shete VS, Sanan TT, Vyas S, Oottikkal S, Porter LM, Magliery TJ, Hadad CM. Mechanistic Insights into the Hydrolysis of Organophosphorus Compounds by Paraoxonase-1: Exploring the Limits of Substrate Tolerance in a Promiscuous Enzyme. Journal of Physical Organic Chemistry. 25: 1247-1260. PMID 23946555 DOI: 10.1002/Poc.3002 |
0.52 |
|
| 2012 |
Mirzakulova E, Khatmullin R, Walpita J, Corrigan T, Vargas-Barbosa NM, Vyas S, Oottikkal S, Manzer SF, Hadad CM, Glusac KD. Electrode-assisted catalytic water oxidation by a flavin derivative. Nature Chemistry. 4: 794-801. PMID 23000992 DOI: 10.1038/Nchem.1439 |
0.492 |
|
| 2012 |
Zhou D, Khatmullin R, Walpita J, Miller NA, Luk HL, Vyas S, Hadad CM, Glusac KD. Mechanistic study of the photochemical hydroxide ion release from 9-hydroxy-10-methyl-9-phenyl-9,10-dihydroacridine. Journal of the American Chemical Society. 134: 11301-3. PMID 22765051 DOI: 10.1021/Ja3031888 |
0.765 |
|
| 2012 |
Kubicki J, Luk HL, Zhang Y, Vyas S, Peng HL, Hadad CM, Platz MS. Direct observation of a sulfonyl azide excited state and its decay processes by ultrafast time-resolved IR spectroscopy. Journal of the American Chemical Society. 134: 7036-44. PMID 22462556 DOI: 10.1021/Ja212085D |
0.806 |
|
| 2012 |
Vyas S, Kubicki J, Luk HL, Zhang Y, Gritsan NP, Hadad CM, Platz MS. An ultrafast time-resolved infrared and UV-vis spectroscopic and computational study of the photochemistry of acyl azides Journal of Physical Organic Chemistry. 25: 693-703. DOI: 10.1002/Poc.2903 |
0.809 |
|
| 2011 |
Xue J, Vyas S, Du Y, Luk HL, Chuang YP, But TY, Toy PH, Wang J, Winter AH, Phillips DL, Hadad CM, Platz MS. Time-resolved resonance Raman and computational investigation of the influence of 4-acetamido and 4-N-methylacetamido substituents on the chemistry of phenylnitrene. The Journal of Physical Chemistry. A. 115: 7521-30. PMID 21648388 DOI: 10.1021/Jp201821D |
0.782 |
|
| 2011 |
Kubicki J, Zhang Y, Vyas S, Burdzinski G, Luk HL, Wang J, Xue J, Peng HL, Pritchina EA, Sliwa M, Buntinx G, Gritsan NP, Hadad CM, Platz MS. Photochemistry of 2-naphthoyl azide. An ultrafast time-resolved UV-vis and IR spectroscopic and computational study. Journal of the American Chemical Society. 133: 9751-61. PMID 21548657 DOI: 10.1021/Ja109098W |
0.808 |
|
| 2011 |
Parimal K, Vyas S, Chen CH, Hadad CM, Flood AH. Bond elongation in the anion radical of coordinated tetrazine ligands: A crystallographic, spectroscopic and computational study of a reduced {Re(CO)3Cl} complex Inorganica Chimica Acta. 374: 620-626. DOI: 10.1016/J.Ica.2011.05.005 |
0.561 |
|
| 2010 |
Vyas S, Muthukrishnan S, Kubicki J, McCulla RD, Burdzinski G, Sliwa M, Platz MS, Hadad CM. Ultrafast spectroscopy and computational study of the photochemistry of diphenylphosphoryl azide: direct spectroscopic observation of a singlet phosphorylnitrene. Journal of the American Chemical Society. 132: 16796-804. PMID 21049999 DOI: 10.1021/Ja909327Z |
0.802 |
|
| 2010 |
Sichula V, Kucheryavy P, Khatmullin R, Hu Y, Mirzakulova E, Vyas S, Manzer SF, Hadad CM, Glusac KD. Electronic properties of N(5)-ethyl flavinium ion. The Journal of Physical Chemistry. A. 114: 12138-47. PMID 21043534 DOI: 10.1021/Jp106288S |
0.606 |
|
| 2010 |
Sichula V, Hu Y, Mirzakulova E, Manzer SF, Vyas S, Hadad CM, Glusac KD. Mechanism of N(5)-ethyl-flavinium cation formation upon electrochemical oxidation of N(5)-ethyl-4a-hydroxyflavin pseudobase. The Journal of Physical Chemistry. B. 114: 9452-61. PMID 20597524 DOI: 10.1021/Jp104443Y |
0.527 |
|
| 2010 |
Zhang Y, Vyas S, Hadad CM, Platz MS. An ab initio study of the ground and excited state chemistry of phenyldiazirine and phenyldiazomethane. The Journal of Physical Chemistry. A. 114: 5902-12. PMID 20405896 DOI: 10.1021/Jp1012939 |
0.764 |
|
| 2010 |
Vyas S, Beck JM, Xia S, Zhang J, Hadad CM. Butyrylcholinesterase and G116H, G116S, G117H, G117N, E197Q and G117H/E197Q mutants: a molecular dynamics study. Chemico-Biological Interactions. 187: 241-5. PMID 20399202 DOI: 10.1016/J.Cbi.2010.04.004 |
0.703 |
|
| 2010 |
Ying H, Baldauff RM, Vyas S, Harsch CIK, Mata DG, Hadad CM, Magliery TJ, Gustafson TL. Functional analyses of human serum paraoxonase (HuPON1) mutants using drop coating deposition Raman difference spectroscopy Aip Conference Proceedings. 1267: 434-435. DOI: 10.1063/1.3482601 |
0.397 |
|
| 2009 |
Vyas S, Onchoke KK, Rajesh CS, Hadad CM, Dutta PK. Optical spectroscopic studies of mononitrated benzo[a]pyrenes. The Journal of Physical Chemistry. A. 113: 12558-65. PMID 19888776 DOI: 10.1021/Jp904234Q |
0.623 |
|
| 2009 |
Zhang Y, Burdzinski G, Kubicki J, Vyas S, Hadad CM, Sliwa M, Poizat O, Buntinx G, Platz MS. Study of the S1 excited state of para-methoxy-3-phenyl-3-methyl diazirine by ultrafast time resolved UV-Vis and IR spectroscopies and theory. Journal of the American Chemical Society. 131: 13784-90. PMID 19736936 DOI: 10.1021/Ja9046119 |
0.774 |
|
| 2009 |
Barakat NH, Zheng X, Gilley CB, MacDonald M, Okolotowicz K, Cashman JR, Vyas S, Beck JM, Hadad CM, Zhang J. Chemical synthesis of two series of nerve agent model compounds and their stereoselective interaction with human acetylcholinesterase and human butyrylcholinesterase. Chemical Research in Toxicology. 22: 1669-79. PMID 19715346 DOI: 10.1021/Tx900096J |
0.652 |
|
| 2009 |
Li G, Parimal K, Vyas S, Hadad CM, Flood AH, Glusac KD. Pinpointing the extent of electronic delocalization in the Re(I)-to-tetrazine charge-separated excited state using time-resolved infrared spectroscopy. Journal of the American Chemical Society. 131: 11656-7. PMID 19653686 DOI: 10.1021/Ja903901N |
0.635 |
|
| 2009 |
Voskresenska V, Wilson RM, Panov M, Tarnovsky AN, Krause JA, Vyas S, Winter AH, Hadad CM. Photoaffinity labeling via nitrenium ion chemistry: protonation of the nitrene derived from 4-amino-3-nitrophenyl azide to afford reactive nitrenium ion pairs. Journal of the American Chemical Society. 131: 11535-47. PMID 19624129 DOI: 10.1021/Ja902224M |
0.704 |
|
| 2009 |
Kucheryavy P, Li G, Vyas S, Hadad C, Glusac KD. Electronic properties of 4-substituted naphthalimides. The Journal of Physical Chemistry. A. 113: 6453-61. PMID 19445525 DOI: 10.1021/Jp901982R |
0.634 |
|
| 2009 |
Kubicki J, Zhang Y, Wang J, Luk HL, Peng HL, Vyas S, Platz MS. Direct observation of acyl azide excited states and their decay processes by ultrafast time resolved infrared spectroscopy. Journal of the American Chemical Society. 131: 4212-3. PMID 19317497 DOI: 10.1021/Ja9002102 |
0.812 |
|
| 2008 |
Vyas S, Hadad CM, Modarelli DA. A computational study of the ground and excited state structure and absorption spectra of free-base N-confused porphine and free-base N-confused tetraphenylporphyrin. The Journal of Physical Chemistry. A. 112: 6533-49. PMID 18593108 DOI: 10.1021/Jp802094R |
0.77 |
|
| 2008 |
Vyas S, Hadad CM. Reactivation of model cholinesterases by oximes and intermediate phosphyloximes: a computational study. Chemico-Biological Interactions. 175: 187-91. PMID 18582852 DOI: 10.1016/J.Cbi.2008.05.006 |
0.551 |
|
| 2008 |
Chisholm MH, Hadad CM, Heinze K, Hempel K, Singh N, Vyas S. (2+) Tetrafluoroborate. Preparation, electronic structure and physical properties Journal of Cluster Science. 19: 209-218. DOI: 10.1007/S10876-007-0167-0 |
0.512 |
|
| 2005 |
Vyas S, Ali ME, Hossain E, Patwardhan S, Datta SN. Theoretical investigation of intramolecular magnetic interaction through an ethylenic coupler. The Journal of Physical Chemistry. A. 109: 4213-5. PMID 16833748 DOI: 10.1021/Jp0510286 |
0.311 |
|
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