| Year |
Citation |
Score |
| 2018 |
Suzuki Y, Iwata N, Dobashi K, Takashima R, Arulmozhiraja S, Ishitsubo E, Matsuo N, Tokiwa H. Alkanoylation of quinazoline by nucleophilic aromatic substitution: Combined experimental and computational study Tetrahedron. 74: 392-400. DOI: 10.1016/J.Tet.2017.11.071 |
0.319 |
|
| 2016 |
Mohamed AE, Ahmed FH, Arulmozhiraja S, Lin CY, Taylor MC, Krausz ER, Jackson CJ, Coote ML. Protonation state of F420H2 in the prodrug-activating deazaflavin dependent nitroreductase (Ddn) from Mycobacterium tuberculosis. Molecular Biosystems. PMID 26876228 DOI: 10.1039/C6Mb00033A |
0.598 |
|
| 2015 |
Arulmozhiraja S, Coote ML, Hasegawa JY. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study. The Journal of Chemical Physics. 143: 204304. PMID 26627956 DOI: 10.1063/1.4935578 |
0.559 |
|
| 2015 |
Arulmozhiraja S, Nakatani N, Nakayama A, Hasegawa JY. Energy dissipative photoprotective mechanism of carotenoid spheroidene from the photoreaction center of purple bacteria Rhodobacter sphaeroides. Physical Chemistry Chemical Physics : Pccp. 17: 23468-80. PMID 26292635 DOI: 10.1039/C5Cp03089G |
0.326 |
|
| 2015 |
Lu D, Arulmozhiraja S, Coote ML, Rae AD, Salem G, Willis AC, Wild SB, Benhenda S, Breitenbach VL, De Thé H, Zhai X, Hogg PJ, Dilda PJ. Sulfur derivatives of the natural polyarsenical arsenicin a: Biologically active, organometallic arsenic-sulfur cages related to the minerals realgar and uzonite Organometallics. 34: 829-840. DOI: 10.1021/Om500829Y |
0.452 |
|
| 2012 |
Arulmozhiraja S, Coote ML. (1)La and (1)Lb States of Indole and Azaindole: Is Density Functional Theory Inadequate? Journal of Chemical Theory and Computation. 8: 575-84. PMID 26596606 DOI: 10.1021/Ct200768B |
0.569 |
|
| 2012 |
Juhasz M, Takahashi S, Arulmozhiraja S, Fujii T. Bond energies (Pt-NH 3 , Pt-Cl) and proton affinity of cisplatin: A density functional theory approach Journal of Structural Chemistry. 53: 436-442. DOI: 10.1134/S0022476612030043 |
0.357 |
|
| 2011 |
Arulmozhiraja S, Coote ML, Kitahara Y, Juhász M, Fujii T. Is the bisphenol A biradical formed in the pyrolysis of polycarbonate? The Journal of Physical Chemistry. A. 115: 4874-81. PMID 21517048 DOI: 10.1021/Jp1093004 |
0.538 |
|
| 2011 |
Arulmozhiraja S, Coote ML, Lu D, Salem G, Wild SB. Origin of the unusual ultraviolet absorption of Arsenicin A. The Journal of Physical Chemistry. A. 115: 4530-4. PMID 21434669 DOI: 10.1021/Jp200956B |
0.542 |
|
| 2009 |
Sala M, Hodoscek M, Arulmozhiraja S, Fujii T. Complete set of critical points on the C60H+ potential energy surface. The Journal of Physical Chemistry. A. 113: 3223-6. PMID 19338066 DOI: 10.1021/Jp8101145 |
0.392 |
|
| 2008 |
Arulmozhiraja S, Ehara M, Nakatsuji H. Electronic transitions in cis- and trans-dichloroethylenes and tetrachloroethylene. The Journal of Chemical Physics. 129: 174506. PMID 19045357 DOI: 10.1063/1.3002911 |
0.413 |
|
| 2008 |
Arulmozhiraja S, Ohno T. CCSD calculations on C(14), C(18), and C(22) carbon clusters. The Journal of Chemical Physics. 128: 114301. PMID 18361565 DOI: 10.1063/1.2838200 |
0.31 |
|
| 2007 |
Arulmozhiraja S, Ehara M, Nakatsuji H. Electronic excitations of fluoroethylenes. The Journal of Chemical Physics. 126: 044306. PMID 17286469 DOI: 10.1063/1.2428296 |
0.415 |
|
| 2006 |
Arulmozhiraja S, Ehara M, Nakatsuji H. C4Cl: bent or linear? The Journal of Chemical Physics. 125: 194314. PMID 17129110 DOI: 10.1063/1.2393224 |
0.413 |
|
| 2006 |
Arulmozhiraja S, Fukuda R, Ehara M, Nakatsuji H. Electronic spectra and photodissociation of vinyl chloride: a symmetry-adapted cluster configuration interaction study. The Journal of Chemical Physics. 124: 034312. PMID 16438588 DOI: 10.1063/1.2162539 |
0.394 |
|
| 2004 |
Arulmozhiraja S, Morita M. Structure-activity relationships for the toxicity of polychlorinated dibenzofurans: approach through density functional theory-based descriptors. Chemical Research in Toxicology. 17: 348-56. PMID 15025505 DOI: 10.1021/Tx0300380 |
0.353 |
|
| 2004 |
Arulmozhiraja S, Morita M. Electron Affinities and Reductive Dechlorination of Toxic Polychlorinated Dibenzofurans: A Density Functional Theory Study Journal of Physical Chemistry A. 108: 3499-3508. DOI: 10.1021/Jp037620H |
0.311 |
|
| 2002 |
Arulmozhiraja S, Fujii T, Sato G. Density functional theory-based reactivity descriptors for dioxins Molecular Physics. 100: 423-431. DOI: 10.1080/00268970110072395 |
0.31 |
|
| 2002 |
Arulmozhiraja S, Fujii T, Morita M. Density Functional Theory Studies on Radical Ions of Selected Polychlorinated Biphenyls Journal of Physical Chemistry A. 106: 10590-10595. DOI: 10.1021/Jp021014P |
0.353 |
|
| 2002 |
Arulmozhiraja S, Selvin PC, Fujii T. Structures, Potential Energy Curves, and Torsional Barrier Heights for Selected Polychlorinated Biphenyls: A Density Functional Theory Study Journal of Physical Chemistry A. 106: 1765-1769. DOI: 10.1021/Jp013558H |
0.319 |
|
| 2001 |
Arulmozhiraja S, Fujii T. Torsional barrier, ionization potential, and electron affinity of biphenyl—A theoretical study Journal of Chemical Physics. 115: 10589-10594. DOI: 10.1063/1.1418438 |
0.358 |
|
| 2001 |
Arulmozhiraja S, Sato T, Yabe A. Benzdiynes revisited: ab initio and density functional theory Journal of Computational Chemistry. 22: 923-930. DOI: 10.1002/Jcc.1055 |
0.359 |
|
| 2000 |
Fujii T, Muraki J, Arulmozhiraja S, Kareev M. Possible production of C3N4 in the microwave-discharge plasma of C2H2/N2 Journal of Applied Physics. 88: 5592-5596. DOI: 10.1063/1.1319970 |
0.313 |
|
| 1999 |
Arulmozhiraja S, Fujii T, Tokiwa H. InOH: A Quantum Chemical Study Journal of Physical Chemistry A. 103: 4085-4088. DOI: 10.1021/Jp984732D |
0.363 |
|
| 1999 |
Arulmozhiraja S, Kolandaivel P, Ohashi O. SiC2 Revisited in a DFT Light Journal of Physical Chemistry A. 103: 3073-3077. DOI: 10.1021/Jp984603X |
0.343 |
|
| 1999 |
Arulmozhiraja S, Fujii T, Tokiwa H. In+ cation interactions with some organics: ab initio molecular orbital and density functional theory Chemical Physics. 250: 237-242. DOI: 10.1016/S0301-0104(99)00348-1 |
0.346 |
|
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