| Year |
Citation |
Score |
| 2020 |
Almatarneh MH, Omeir RA, AL Demour S, Elayan IA, Islam S, Poirier RA. Hydrolytic deamination mechanisms of guanosine monophosphate: A computational study Computational and Theoretical Chemistry. 1175: 112732. DOI: 10.1016/J.Comptc.2020.112732 |
0.723 |
|
| 2019 |
Uddin KM, Alrawashdeh AI, Henry DJ, Warburton PL, Poirier RA. Hydrolytic deamination reactions of amidine and nucleobase derivatives International Journal of Quantum Chemistry. 120. DOI: 10.1002/Qua.26059 |
0.344 |
|
| 2018 |
Almatarneh MH, Elayan IA, Poirier RA, Altarawneh M. The ozonolysis of cyclic monoterpenes: a computational review Canadian Journal of Chemistry. 96: 281-292. DOI: 10.1139/Cjc-2017-0587 |
0.694 |
|
| 2018 |
Abu-Saleh AAA, Almatarneh MH, Poirier RA. Bimolecular reactions of carbenes: Proton transfer mechanism Chemical Physics Letters. 698: 36-40. DOI: 10.1016/J.Cplett.2018.03.001 |
0.717 |
|
| 2017 |
Uddin KM, Henry DJ, Alrawashdeh AI, Warburton PL, Poirier RA. Mechanism for the deamination of ammeline, guanine, and their analogues Structural Chemistry. 28: 1467-1477. DOI: 10.1007/S11224-017-0941-Z |
0.328 |
|
| 2016 |
Almatarneh MH, Abu-Saleh AAA, Uddin KM, Poirier RA, Warburton PL. A computational mechanistic study of the deamination reaction of melamine International Journal of Quantum Chemistry. 117: 180-189. DOI: 10.1002/Qua.25308 |
0.71 |
|
| 2015 |
Istvanková Z, Poirier RA, Hollett JW. Simple empirical models for predicting electron correlation in small molecular systems Computational and Theoretical Chemistry. 1074: 136-141. DOI: 10.1016/J.Comptc.2015.09.018 |
0.705 |
|
| 2015 |
Ištvanková Z, Grandy V, Poirier RA, Dale Keefe C, Hollett JW. Simple models for predicting correlation energy Computational and Theoretical Chemistry. 1067: 64-70. DOI: 10.1016/J.Comptc.2015.04.015 |
0.695 |
|
| 2014 |
Halim MA, Almatarneh MH, Poirier RA. Mechanistic study of the deamidation reaction of glutamine: a computational approach. The Journal of Physical Chemistry. B. 118: 2316-30. PMID 24499522 DOI: 10.1021/Jp4107266 |
0.766 |
|
| 2014 |
Almatarneh MH, Altarawneh M, Poirier RA, Saraireh IA. High level ab initio, DFT, and RRKM calculations for the unimolecular decomposition reaction of ethylamine Journal of Computational Science. 5: 568-575. DOI: 10.1016/J.Jocs.2014.02.003 |
0.74 |
|
| 2014 |
Uddin KM, Flinn CG, Poirier RA, Warburton PL. Comparative computational investigation of the reaction mechanism for the hydrolytic deamination of cytosine, cytosine butane dimer and 5,6-saturated cytosine analogues Computational and Theoretical Chemistry. 1027: 91-102. DOI: 10.1016/J.Comptc.2013.10.027 |
0.361 |
|
| 2012 |
Liu PY, Wu YJ, Pye CC, Thornton PD, Poirier RA, Burnell DJ. Facial selectivity in the Diels-Alder reactions of 2,2-disubstituted cyclopent-4-ene-1,3-dione derivatives and a computational examination of the facial selectivity of the Diels-Alder reactions of structurally related dienes and dienophiles European Journal of Organic Chemistry. 1186-1194. DOI: 10.1002/ejoc.201101301 |
0.589 |
|
| 2011 |
Altarawneh M, Al-Muhtaseb AH, Almatarneh MH, Poirier RA, Assaf NW, Altarawneh KK. Theoretical investigation into competing unimolecular reactions encountered in the pyrolysis of acetamide. The Journal of Physical Chemistry. A. 115: 14092-9. PMID 22026587 DOI: 10.1021/Jp2067765 |
0.695 |
|
| 2011 |
Uddin KM, Poirier RA. Computational study of the deamination of 8-oxoguanine. The Journal of Physical Chemistry. B. 115: 9151-9. PMID 21678968 DOI: 10.1021/jp202098k |
0.303 |
|
| 2011 |
Al-Muhtaseb AH, Altarawneh M, Almatarneh MH, Poirier RA, Assaf NW. Theoretical study on the unimolecular decomposition of thiophenol. Journal of Computational Chemistry. 32: 2708-15. PMID 21647931 DOI: 10.1002/Jcc.21852 |
0.665 |
|
| 2011 |
Uddin KM, Almatarneh MH, Shaw DM, Poirier RA. Mechanistic study of the deamination reaction of guanine: a computational study. The Journal of Physical Chemistry. A. 115: 2065-76. PMID 21338176 DOI: 10.1021/Jp1120806 |
0.722 |
|
| 2010 |
Poirier RA, Csizmadia IG. General and theoretical aspects of organic compounds containing selenium or tellurium Organic Selenium and Tellurium Compounds (1986). 1: 21-62. DOI: 10.1002/9780470771761.ch2 |
0.335 |
|
| 2009 |
Hollett JW, Poirier RA. SEST: Simulated Electronic Structure Theory. Journal of Chemical Theory and Computation. 5: 126-35. PMID 26609826 DOI: 10.1021/Ct800433R |
0.712 |
|
| 2009 |
Hollett JW, Poirier RA. Properties and applications of the average interparticle distance. Journal of Molecular Modeling. 15: 739-45. PMID 19089470 DOI: 10.1007/s00894-008-0391-z |
0.69 |
|
| 2009 |
Hollett JW, Poirier RA. SEST: Simulated electronic structure theory Journal of Chemical Theory and Computation. 5: 126-135. DOI: 10.1021/ct800433r |
0.66 |
|
| 2009 |
Pye CC, Poirier RA, Burnell DJ, Klapstein D. An ab initio study of 5,6-disubstituted 1,3-cyclohexadienes Journal of Molecular Structure: Theochem. 909: 66-74. DOI: 10.1016/J.Theochem.2009.05.027 |
0.61 |
|
| 2008 |
Almatarneh MH, Flinn CG, Poirier RA. Mechanisms for the deamination reaction of cytosine with H2O/OH(-) and 2H2O/OH(-): a computational study. Journal of Chemical Information and Modeling. 48: 831-43. PMID 18380427 DOI: 10.1021/Ci7003219 |
0.744 |
|
| 2008 |
Islam SM, Poirier RA. Addition reaction of adamantylideneadamantane with Br2 and 2Br2: a computational study. The Journal of Physical Chemistry. A. 112: 152-9. PMID 18069807 DOI: 10.1021/jp077306d |
0.344 |
|
| 2007 |
Islam SM, Poirier RA. New insights into the bromination reaction for a series of alkenes--a computational study. The Journal of Physical Chemistry. A. 111: 13218-32. PMID 18001011 DOI: 10.1021/jp075674b |
0.407 |
|
| 2007 |
Islam SM, Hollett JW, Poirier RA. Computational study of the reactions of SiH3X (X=H, Cl, Br, I) with HCN. The Journal of Physical Chemistry. A. 111: 526-40. PMID 17228902 DOI: 10.1021/Jp066524O |
0.762 |
|
| 2007 |
Hollett JW, Poirier RA. An interesting relationship between interelectronic distance and the corresponding coulomb integral Journal of Theoretical and Computational Chemistry. 6: 13-22. DOI: 10.1142/S0219633607002782 |
0.678 |
|
| 2006 |
Hollett JW, Kelly A, Poirier RA. Quantum mechanical size and steric hindrance. The Journal of Physical Chemistry. A. 110: 13884-8. PMID 17181348 DOI: 10.1021/Jp066011H |
0.668 |
|
| 2006 |
Almatarneh MH, Flinn CG, Poirier RA, Sokalski WA. Computational study of the deamination reaction of cytosine with H2O and OH-. The Journal of Physical Chemistry. A. 110: 8227-34. PMID 16805511 DOI: 10.1021/Jp062300U |
0.733 |
|
| 2005 |
Almatarneh MH, Flinn CG, Poirier RA. Ab initio study of the decomposition of formamidine Canadian Journal of Chemistry. 83: 2082-2090. DOI: 10.1139/V05-233 |
0.727 |
|
| 2005 |
Pye CC, Poirier RA. An ab initio study of 1,5-suprafacial shifts in 5-substituted 1,3-cyclopentadienes Canadian Journal of Chemistry. 83: 1299-1305. DOI: 10.1139/v05-141 |
0.573 |
|
| 2003 |
Pye CC, Xidos JD, Burnell DJ, Poirier RA. An ab initio study of conformations and IR spectra of 5-substituted 1,3-cyclopentadienes Canadian Journal of Chemistry. 81: 14-30. DOI: 10.1139/v02-192 |
0.755 |
|
| 2001 |
Xidos JD, Gosse TL, Burke ED, Poirier RA, Burnell DJ. Endo-exo and facial stereoselectivity in the Diels-Alder reactions of 3-substituted cyclopropenes with butadiene. Journal of the American Chemical Society. 123: 5482-8. PMID 11389630 DOI: 10.1021/ja0030919 |
0.79 |
|
| 2000 |
Xidos JD, Poirier RA, Burnell DJ. A computational examination of Diels-Alder reactions with 1,3- cyclopentadienes bearing anionic and cationic substituents at C-5 Tetrahedron Letters. 41: 995-998. DOI: 10.1016/S0040-4039(99)02225-X |
0.769 |
|
| 1998 |
Xidos JD, Poirier RA, Pye CC, Burnell DJ. An ab Initio Study of Facial Selectivity in the Diels-Alder Reaction. The Journal of Organic Chemistry. 63: 105-112. PMID 11674049 |
0.786 |
|
| 1998 |
Pye CC, Poirier RA. Graphical approach for defining natural internal coordinates Journal of Computational Chemistry. 19: 504-511. |
0.464 |
|
| 1997 |
Pye CC, Xidos JD, Poirier RA, Burnell DJ. Examination of the valence tautomers benzene oxide and oxepin and two derivative systems by ab Initio methods Journal of Physical Chemistry A. 101: 3371-3376. DOI: 10.1021/Jp9623498 |
0.767 |
|
| 1996 |
Pye CC, Rudolph W, Poirier RA. An ab Initio Investigation of Lithium Ion Hydration The Journal of Physical Chemistry. 100: 601-605. DOI: 10.1021/jp9516912 |
0.498 |
|
| 1995 |
Poirier RA, Pye CC, Xidos JD, Burnell DJ. Origin of Facial Selectivity in the Diels-Alder Reactions of 5-Substituted 1,3-Cyclopentadienes The Journal of Organic Chemistry. 60: 2328-2329. DOI: 10.1021/jo00113a009 |
0.774 |
|
| 1995 |
Poirier RA, Pye CC, Xidos JD, Burnell DJ. Origin of facial selectivity in the Diels-Alder reactions of 5-substituted 1,3-cyclopentadienes Journal of Organic Chemistry. 60: 2328-2329. |
0.774 |
|
| 1994 |
Pye CC, Poirier RA, Yu D, Surján PR. Ab initio Hartree- Fock calculations of the interaction energy of bimolecular complexes Journal of Molecular Structure: Theochem. 307: 239-259. DOI: 10.1016/0166-1280(94)80131-2 |
0.563 |
|
| 1987 |
Angyan JG, Poirier RA, Kucsman A, Csizmadia IG. Bonding between nonbonded sulfur and oxygen atoms in selected organic molecules (a quantum chemical study) Journal of the American Chemical Society. 109: 2237-2245. DOI: 10.1021/Ja00242A001 |
0.407 |
|
| 1986 |
Angyan JG, Csizmadia IG, Daudel R, Poirier RA. The role of optimum supplementary d-orbitals for hypervalent selenium compounds Chemical Physics Letters. 131: 247-251. DOI: 10.1016/0009-2614(86)80554-1 |
0.421 |
|
| 1985 |
Ángyán J, Kucsman Á, Poirier R, Csizmadia I. Intramolecular sulfur—oxygen interaction: An ab initio conformational study of (Z)-3-fluorothio-2-propenal Journal of Molecular Structure: Theochem. 123: 189-201. DOI: 10.1016/0166-1280(85)80163-9 |
0.481 |
|
| 1985 |
Poirier RA, Kari R, Daudel R, Csizmadia IG. Gaussian basis sets for nitrogen; properties of NH3 Journal of Molecular Structure: Theochem. 23: 259-268. DOI: 10.1016/0166-1280(85)80086-5 |
0.423 |
|
| 1985 |
PATAKI L, MADY A, VENTER RD, POIRIER RA, CSIZMADIA IG. ChemInform Abstract: A THEORETICAL MODEL INVESTIGATION OF THE HYDROGEN-ELECTRODE PROCESSES OF AN ALKALINE HYDROGEN-OXYGEN FUEL CELL Chemischer Informationsdienst. 16. DOI: 10.1002/Chin.198508018 |
0.341 |
|
| 1984 |
McCaffrey JG, Poirier RA, Ozin GA, Csizmadia IG. Ab initio self-consistent field calculations of lithium atom insertion into a carbon-hydrogen bond of methane The Journal of Physical Chemistry. 88: 2898-2902. DOI: 10.1021/J150657A046 |
0.454 |
|
| 1984 |
Pataki L, Mady A, Venter RD, Poirier RA, Csizmadia IG. A theoretical model investigation of the hydrogen-electrode processes of an alkaline H2O2 fuel cell Journal of Molecular Structure: Theochem. 110: 229-239. DOI: 10.1016/0166-1280(84)80073-1 |
0.457 |
|
| 1984 |
Pataki L, Mady A, Venter RD, Poirier RA, Peterson MR, Csizmadia IG. A theoretical model investigation of the hydrogen-electrode processes of an acidic H2O2 fuel cell Chemical Physics Letters. 109: 198-205. DOI: 10.1016/0009-2614(84)85590-6 |
0.433 |
|
| 1984 |
Santry LJ, Poirier RA, McClelland RA, Csizmadia IG. The ring-opening of an unsymmetrical tetrahedral intermediate - 2-hydroxy-1,3-oxathiolane Theoretica Chimica Acta. 65: 139-149. DOI: 10.1007/Bf01064209 |
0.461 |
|
| 1984 |
Poirier RA, Daudel R, Kari RE, Csizmadia IG. Ab initio calculations on sulfur-containing compounds. II. One-electron properties of H2S International Journal of Quantum Chemistry. 25: 411-421. DOI: 10.1002/Qua.560250211 |
0.449 |
|
| 1983 |
Poirier RA, Peterson MR, Menzinger M. An ab initio study of the reaction Be(3P) +H2(1Σg+) → BeH(2Σ+)+H(2S) The Journal of Chemical Physics. 78: 4592-4596. DOI: 10.1063/1.445300 |
0.317 |
|
| 1983 |
Poirier RA, Demaré GR, Yates K, Csizmadia IG. Stabilities of isomeric bromonium ions C2H4Br+ Journal of Molecular Structure. 94: 137-141. DOI: 10.1016/0022-2860(83)90270-3 |
0.395 |
|
| 1983 |
Poirier RA, Ozin GA, McIntosh DF, Csizmadia IG, Daudel R. Structure and bonding of H3CCuH Chemical Physics Letters. 101: 221-228. DOI: 10.1016/0009-2614(83)87002-X |
0.447 |
|
| 1983 |
Zielinski TJ, Poirier RA, Peterson MR, Csizmadia IG. A water‐mediated tautomerism mechanism in formamide and amidine. An ab initio study Journal of Computational Chemistry. 4: 419-427. DOI: 10.1002/Jcc.540040318 |
0.443 |
|
| 1983 |
POIRIER RA, DEMARE GR, YATES K, CSIZMADIA IG. ChemInform Abstract: STABILITIES OF ISOMERIC BROMONIUM IONS C2H4BR+ Chemischer Informationsdienst. 14. DOI: 10.1002/Chin.198333117 |
0.342 |
|
| 1982 |
Poirier RA, Constantin E, Abbé JC, Peterson MR, Csizmadia IG. A mechanistic study of the ion-molecule gas-phase reaction: CH+3 + CH4 → CH3CH+2 + H2 Journal of Molecular Structure: Theochem. 88: 343-355. DOI: 10.1016/0166-1280(82)80184-X |
0.401 |
|
| 1982 |
Poirier RA, Daudel R, Mezey PG, Csizmadia IG. Ab initio calculations on sulfur‐containing compounds. I. Uniform quality basis sets for sulfur: Total energies and geometries of H2S International Journal of Quantum Chemistry. 21: 799-811. DOI: 10.1002/Qua.560210505 |
0.447 |
|
| 1982 |
Daudel R, Poirier RA, Csizmadia IG. Uniform quality gaussian basis sets for molecular calculations. V. Property optimization: A study on H2O International Journal of Quantum Chemistry. 21: 699-710. DOI: 10.1002/Qua.560210404 |
0.42 |
|
| 1982 |
Zielinski TJ, Poirier RA, Peterson MR, Csizmadia IG. Conformational study of protonated, neutral, and deprotonated formamide Journal of Computational Chemistry. 3: 477-485. DOI: 10.1002/Jcc.540030405 |
0.489 |
|
| 1982 |
POIRIER RA, CONSTANTIN E, ABBE JC, PETERSON MR, CSIZMADIA IG. ChemInform Abstract: A MECHANISTIC STUDY OF THE ION-MOLECULE GAS-PHASE REACTION: CH3+ + CH4 → CH3CH2+ + H2 Chemischer Informationsdienst. 13. DOI: 10.1002/Chin.198244143 |
0.411 |
|
| 1981 |
Poirier RA, Mezey PG, Yates K, Csizmadia IG. Quantum chemical studies on electrophilic addition. Part IV. Reaction of bromine with ethylene Journal of Molecular Structure: Theochem. 85: 153-158. DOI: 10.1016/0166-1280(81)85057-9 |
0.497 |
|
| 1981 |
Poirier RA, Goddard JD. The isomers of Si2H4: disilene and silylsilylene Chemical Physics Letters. 80: 37-41. DOI: 10.1016/0009-2614(81)80052-8 |
0.527 |
|
| 1981 |
Poirier RA, Daudel R, Csizmadia IG. Uniform quality gaussian basis sets for molecular calculations. IV. Gradient and charged optimized basis sets for CH4 International Journal of Quantum Chemistry. 19: 711-718. DOI: 10.1002/Qua.560190421 |
0.388 |
|
| 1981 |
Poirier RA, Daudel R, Csizmadia IG. Uniform quality gaussian basis sets for molecular calculations. III. Charge optimized basis sets International Journal of Quantum Chemistry. 19: 693-710. DOI: 10.1002/Qua.560190420 |
0.379 |
|
| 1981 |
Peterson MR, Poirier RA, Daudel R, Csizmadia IG. Simple relationship between total molecular correlation energies and LMO sizes International Journal of Quantum Chemistry. 19: 25-31. DOI: 10.1002/Qua.560190104 |
0.408 |
|
| 1980 |
Poirier RA, Daudel R, Mezey PG, Csizmadia IG. Uniform quality gaussian basis sets for molecular calculations, I. C1 hydrocarbons International Journal of Quantum Chemistry. 18: 715-725. DOI: 10.1002/Qua.560180307 |
0.417 |
|
| 1979 |
Daudel R, Poirier RA, Goddard JD, Csizmadia IG. Study of the quality of Gaussian basis sets for carbon and silicon: Calculations on methane and silane International Journal of Quantum Chemistry. 15: 261-270. DOI: 10.1002/Qua.560150302 |
0.586 |
|
| 1978 |
Poirier R, Kari R. The effect of p, d, and f Gaussian polarization functions on the computed one-electron properties of AHn oxygen and sulfur hydrides Canadian Journal of Chemistry. 56: 543-551. DOI: 10.1139/V78-088 |
0.325 |
|
| 1978 |
Daudel R, Kari RE, Poirier RA, Goddard JD, Csizmadia IG. AB Initio molecular orbital calculations on the si2h4molecule Journal of Molecular Structure. 50: 115-121. DOI: 10.1016/0022-2860(78)87104-X |
0.579 |
|
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