Murat Keceli, Ph.D. - Publications

Affiliations: 
2012 Chemical Physics University of Illinois, Urbana-Champaign, Urbana-Champaign, IL 
Area:
Theoretical and Computational Chemistry

12 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Maystrovsky S, Keçeli M, Sode O. Understanding the anharmonic vibrational structure of the carbon dioxide dimer. The Journal of Chemical Physics. 150: 144302. PMID 30981225 DOI: 10.1063/1.5089460  1
2018 Keçeli M, Corsetti F, Campos C, Roman JE, Zhang H, Vázquez-Mayagoitia Á, Zapol P, Wagner AF. SIESTA-SIPs: Massively parallel spectrum-slicing eigensolver for an ab initio molecular dynamics package. Journal of Computational Chemistry. 39: 1806-1814. PMID 30141534 DOI: 10.1002/jcc.25350  1
2015 Keçeli M, Zhang H, Zapol P, Dixon DA, Wagner AF. Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding. Journal of Computational Chemistry. PMID 26576689 DOI: 10.1002/jcc.24254  1
2014 Hirata S, Sode O, Keçeli M, Yagi K, Li J. Response to "Comment on 'Fermi resonance in solid CO2 under pressure'" [J. Chem. Phys. 140, 177101 (2014)]. The Journal of Chemical Physics. 140: 177102. PMID 24811670 DOI: 10.1063/1.4873692  1
2013 Sode O, Keçeli M, Yagi K, Hirata S. Fermi resonance in solid CO2 under pressure. The Journal of Chemical Physics. 138: 074501. PMID 23445018 DOI: 10.1063/1.4790537  1
2012 Yagi K, Keçeli M, Hirata S. Optimized coordinates for anharmonic vibrational structure theories. The Journal of Chemical Physics. 137: 204118. PMID 23205992 DOI: 10.1063/1.4767776  1
2012 Hermes MR, Keçeli M, Hirata S. Size-extensive vibrational self-consistent field methods with anharmonic geometry corrections. The Journal of Chemical Physics. 136: 234109. PMID 22779583 DOI: 10.1063/1.4729602  1
2012 Hirata S, Keçeli M, Ohnishi YY, Sode O, Yagi K. Extensivity of energy and electronic and vibrational structure methods for crystals. Annual Review of Physical Chemistry. 63: 131-53. PMID 22224701 DOI: 10.1146/annurev-physchem-032511-143718  1
2011 Keçeli M, Hirata S. Size-extensive vibrational self-consistent field method. The Journal of Chemical Physics. 135: 134108. PMID 21992283 DOI: 10.1063/1.3644895  1
2010 Keçeli M, Hirata S, Yagi K. First-principles calculations on anharmonic vibrational frequencies of polyethylene and polyacetylene in the Gamma approximation. The Journal of Chemical Physics. 133: 034110. PMID 20649311 DOI: 10.1063/1.3462238  1
2010 Hirata S, Keçeli M, Yagi K. First-principles theories for anharmonic lattice vibrations. The Journal of Chemical Physics. 133: 034109. PMID 20649310 DOI: 10.1063/1.3462237  1
2009 Keceli M, Shiozaki T, Yagi K, Hirata S. Anharmonic vibrational frequencies and vibrationally-averaged structures of key species in hydrocarbon combustion: HCO+, HCO, HNO, HOO, HOO-, CH3+, and CH3 Molecular Physics. 107: 1283-1301. DOI: 10.1080/00268970902889626  1
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