Year |
Citation |
Score |
2016 |
Wang Y, Bowman JM, Kamarchik E. Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions. The Journal of Chemical Physics. 144: 114311. PMID 27004880 DOI: 10.1063/1.4943580 |
0.49 |
|
2014 |
Jasper AW, Pelzer KM, Miller JA, Kamarchik E, Harding LB, Klippenstein SJ. Predictive a priori pressure-dependent kinetics. Science (New York, N.Y.). 346: 1212-5. PMID 25477457 DOI: 10.1126/Science.1260856 |
0.341 |
|
2014 |
Jasper AW, Kamarchik E, Miller JA, Klippenstein SJ. First-principles binary diffusion coefficients for H, H₂, and four normal alkanes + N₂. The Journal of Chemical Physics. 141: 124313. PMID 25273443 DOI: 10.1063/1.4896368 |
0.348 |
|
2014 |
Kamarchik E, Toffoli D, Christiansen O, Bowman JM. Ab initio potential energy and dipole moment surfaces of the F(-)(H2O) complex. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 59-62. PMID 23756053 DOI: 10.1016/J.Saa.2013.04.076 |
0.476 |
|
2013 |
McKown BG, Ceriotti M, Womack CC, Kamarchik E, Butler LJ, Bowman JM. Effects of high angular momentum on the unimolecular dissociation of CD2CD2OH: theory and comparisons with experiment. The Journal of Physical Chemistry. A. 117: 10951-63. PMID 24124756 DOI: 10.1021/Jp407913T |
0.461 |
|
2013 |
Conte R, Fu B, Kamarchik E, Bowman JM. A novel Gaussian Binning (1GB) analysis of vibrational state distributions in highly excited H2O from reactive quenching of OH∗ by H2. The Journal of Chemical Physics. 139: 044104. PMID 23901957 DOI: 10.1063/1.4816277 |
0.503 |
|
2013 |
Kamarchik E, Jasper AW. Anharmonic state counts and partition functions for molecules via classical phase space integrals in curvilinear coordinates. The Journal of Chemical Physics. 138: 194109. PMID 23697411 DOI: 10.1063/1.4804420 |
0.473 |
|
2013 |
Kamarchik E, Bowman JM. Coupling of low- and high-frequency vibrational modes: Broadening in the infrared spectrum of F-(H2O)2 Journal of Physical Chemistry Letters. 4: 2964-2969. DOI: 10.1021/Jz4013867 |
0.425 |
|
2013 |
Kamarchik E, Jasper AW. Anharmonic vibrational properties from intrinsic n-mode state densities Journal of Physical Chemistry Letters. 4: 2430-2435. DOI: 10.1021/Jz401181Q |
0.412 |
|
2012 |
Kamarchik E, Rodrigo C, Bowman JM, Reisler H, Krylov AI. Overtone-induced dissociation and isomerization dynamics of the hydroxymethyl radical (CH2OH and CD2OH). I. A theoretical study. The Journal of Chemical Physics. 136: 084304. PMID 22380039 DOI: 10.1063/1.3685891 |
0.597 |
|
2011 |
Khistyaev K, Bravaya KB, Kamarchik E, Kostko O, Ahmed M, Krylov AI. The effect of microhydration on ionization energies of thymine. Faraday Discussions. 150: 313-30; discussion 3. PMID 22457954 DOI: 10.1039/C0Fd00002G |
0.625 |
|
2011 |
Kamarchik E, Wang Y, Bowman JM. Quantum vibrational analysis and infrared spectra of microhydrated sodium ions using an ab initio potential. The Journal of Chemical Physics. 134: 114311. PMID 21428623 DOI: 10.1063/1.3567186 |
0.463 |
|
2011 |
Kamarchik E, Krylov AI. Non-condon effects in the one- and two-photon absorption spectra of the green fluorescent protein Journal of Physical Chemistry Letters. 2: 488-492. DOI: 10.1021/Jz101616G |
0.53 |
|
2010 |
Kamarchik E, Bowman JM. Quantum vibrational analysis of hydrated ions using an ab initio potential. The Journal of Physical Chemistry. A. 114: 12945-51. PMID 21080684 DOI: 10.1021/Jp108255K |
0.394 |
|
2010 |
Lehman JH, Dempsey LP, Lester MI, Fu B, Kamarchik E, Bowman JM. Collisional quenching of OD A 2Σ+ by H2: experimental and theoretical studies of the state-resolved OD X 2Π product distribution and branching fraction. The Journal of Chemical Physics. 133: 164307. PMID 21033788 DOI: 10.1063/1.3487734 |
0.448 |
|
2010 |
Fu B, Kamarchik E, Bowman JM. Quasiclassical trajectory study of the postquenching dynamics of OH A 2Σ+ by H2/D2 on a global potential energy surface. The Journal of Chemical Physics. 133: 164306. PMID 21033787 DOI: 10.1063/1.3488167 |
0.481 |
|
2010 |
Kamarchik E, Kostko O, Bowman JM, Ahmed M, Krylov AI. Spectroscopic signatures of proton transfer dynamics in the water dimer cation. The Journal of Chemical Physics. 132: 194311. PMID 20499967 DOI: 10.1063/1.3432198 |
0.632 |
|
2010 |
Kamarchik E, Fu B, Bowman JM. Communications: Classical trajectory study of the postquenching dynamics of OH A 2Sigma+ by H2 initiated at conical intersections. The Journal of Chemical Physics. 132: 091102. PMID 20210382 DOI: 10.1063/1.3336402 |
0.519 |
|
2010 |
Greenman L, Ho PJ, Pabst S, Kamarchik E, Mazziotti DA, Santra R. Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes Physical Review a - Atomic, Molecular, and Optical Physics. 82. DOI: 10.1103/Physreva.82.023406 |
0.688 |
|
2010 |
Kamarchik E, Koziol L, Reisler H, Bowman JM, Krylov AI. Roaming pathway leading to unexpected water + vinyl products in C 2H4OH dissociation Journal of Physical Chemistry Letters. 1: 3058-3065. DOI: 10.1021/Jz1011884 |
0.725 |
|
2010 |
Bowman JM, Braams BJ, Carter S, Chen C, Czakó G, Fu B, Huang X, Kamarchik E, Sharma AR, Shepler BC, Wang Y, Xie Z. Ab-initio-based potential energy surfaces for complex molecules and molecular complexes Journal of Physical Chemistry Letters. 1: 1866-1874. DOI: 10.1021/Jz100626H |
0.462 |
|
2009 |
Kamarchik E, Wang Y, Bowman J. Reduced-dimensional quantum approach to tunneling splittings using saddle-point normal coordinates. The Journal of Physical Chemistry. A. 113: 7556-62. PMID 19552477 DOI: 10.1021/Jp901027G |
0.356 |
|
2009 |
Kamarchik E, Mazziotti DA. Coupled nuclear and electronic ground-state motion from variational reduced-density-matrix theory with applications to molecules with floppy or resonant hydrogens Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/Physreva.79.012502 |
0.621 |
|
2008 |
DePrince AE, Kamarchik E, Mazziotti DA. Parametric two-electron reduced-density-matrix method applied to computing molecular energies and properties at nonequilibrium geometries. The Journal of Chemical Physics. 128: 234103. PMID 18570487 DOI: 10.1063/1.2937454 |
0.742 |
|
2007 |
Kamarchik E, Mazziotti DA. Global energy minima of molecular clusters computed in polynomial time with semidefinite programming. Physical Review Letters. 99: 243002. PMID 18233446 DOI: 10.1103/Physrevlett.99.243002 |
0.56 |
|
2007 |
Kamarchik E, Mazziotti DA. Variational reduced-density-matrix method for ground-state nuclear motion Physical Review a - Atomic, Molecular, and Optical Physics. 75. DOI: 10.1103/Physreva.75.013203 |
0.552 |
|
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