Micah L. Abrams, Ph.D. - Publications

Affiliations: 
2005 Georgia Institute of Technology, Atlanta, GA 
Area:
quantum chemistry

25 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
2012 Taylor WS, Abrams ML, Matthews CC, Byers S, Musial S, Nichols CM. State-specific reactions of Cu(+)(1S, 3D) with CH3X and CF3X (X = Cl, Br, I): exploring the influence of dipole orientation on association and C-X bond activation. The Journal of Physical Chemistry. A. 116: 3979-88. PMID 22509816 DOI: 10.1021/jp300587y  1
2012 Desrochers PJ, Sutton CA, Abrams ML, Ye S, Neese F, Telser J, Ozarowski A, Krzystek J. Electronic structure of nickel(II) and zinc(II) borohydrides from spectroscopic measurements and computational modeling. Inorganic Chemistry. 51: 2793-805. PMID 22335547 DOI: 10.1021/ic201775c  1
2012 Turney JM, Simmonett AC, Parrish RM, Hohenstein EG, Evangelista FA, Fermann JT, Mintz BJ, Burns LA, Wilke JJ, Abrams ML, Russ NJ, Leininger ML, Janssen CL, Seidl ET, Allen WD, et al. Psi4: An open-source ab initio electronic structure program Wiley Interdisciplinary Reviews: Computational Molecular Science. 2: 556-565. DOI: 10.1002/wcms.93  1
2011 Degrand MJ, Abrams ML, Jenkins JL, Welch LE. Gibbs energy changes during cobalt complexation: A thermodynamics experiment for the general chemistry laboratory Journal of Chemical Education. 88: 634-636. DOI: 10.1021/ed100833x  1
2010 Wilke BI, Goodenough AK, Bausch CC, Cline EN, Abrams ML, Fayer EL, Swenson DC, Cermak DM. Four novel spirooxazacamphorsultam derivatives. Acta Crystallographica. Section C, Crystal Structure Communications. 66: o600-5. PMID 21123893 DOI: 10.1107/S0108270110041843  1
2010 Wilke BI, Goodenough AK, Bausch CC, Cline EN, Abrams ML, Fayer EL, Cermak DM. Synthesis and characterization of novel spirooxazacamphorsultam derivatives Tetrahedron Letters. 51: 6871-6873. DOI: 10.1016/j.tetlet.2010.10.105  1
2008 Wiberg KB, Wang YG, Wilson SM, Vaccaro PH, Jorgensen WL, Crawford TD, Abrams ML, Cheeseman JR, Luderer M. Optical rotatory dispersion of 2,3-hexadiene and 2,3-pentadiene. The Journal of Physical Chemistry. A. 112: 2415-22. PMID 18281963 DOI: 10.1021/jp076572o  1
2007 Crawford TD, Tam MC, Abrams ML. The current state of ab initio calculations of optical rotation and electronic circular dichroism spectra. The Journal of Physical Chemistry. A. 111: 12057-68. PMID 17985851 DOI: 10.1021/jp075046u  0.6
2007 Tam MC, Abrams ML, Crawford TD. Chiroptical properties of (R)-3-chloro-1-butene and (A)-2-chlorobutane Journal of Physical Chemistry A. 111: 11232-11241. PMID 17488101 DOI: 10.1021/jp070843d  1
2007 Crawford TD, Tam MC, Abrams ML. The problematic case of (S)-methylthiirane: Electronic circular dichroism spectra and optical rotatory dispersion Molecular Physics. 105: 2607-2617. DOI: 10.1080/00268970701598097  1
2007 Crawford TD, Tam MC, Abrams ML. The current state of ab initio calculations of optical rotation and electronic circular dichroism spectra Journal of Physical Chemistry A. 111: 12057-12068. DOI: 10.1021/jp075046u  1
2007 Sutton CA, Desrochers PJ, Abrams ML. Ammonia controls facile solid-phase halide exchange at nickel(II) Acs National Meeting Book of Abstracts 1
2007 Sherrill CD, Dutta A, Abrams ML, Sears JS. Bond breaking in quantum chemistry: A comparison of single- and multi-reference methods Acs Symposium Series. 958: 75-88.  1
2006 Crawford TD, Abrams ML, King RA, Lane JR, Schofield DP, Kjaergaard HG. The lowest 2A' excited state of the water-hydroxyl complex. The Journal of Chemical Physics. 125: 204302. PMID 17144695 DOI: 10.1063/1.2388260  0.6
2006 Kowalczyk TD, Abrams ML, Crawford TD. Ab initio optical rotatory dispersion and electronic circular dichroism spectra of (S)-2-chloropropionitrile. The Journal of Physical Chemistry. A. 110: 7649-54. PMID 16774210 DOI: 10.1021/jp061241h  0.6
2006 Crawford TD, Abrams ML, King RA, Lane JR, Schofield DP, Kjaergaard HG. The lowest A′2 excited state of the water-hydroxyl complex Journal of Chemical Physics. 125. DOI: 10.1063/1.2388260  1
2006 Kowalczyk TD, Abrams ML, Crawford TD. Ab initio optical rotatory dispersion and electronic circular dichroism spectra of (S)-2-chloropropionitrile Journal of Physical Chemistry A. 110: 7649-7654. DOI: 10.1021/jp061241h  1
2005 Abrams ML, David Sherrill C. On the orbital dependence of compact, weight-selected configuration interaction and coupled-cluster wave functions Molecular Physics. 103: 3315-3320. DOI: 10.1080/00268970500302436  1
2005 Abrams ML, Sherrill CD. Important configurations in configuration interaction and coupled-cluster wave functions Chemical Physics Letters. 412: 121-124. DOI: 10.1016/j.cplett.2005.06.107  1
2005 Abrams ML, Sherrill CD. General-order single- and multi-reference configuration interaction and coupled-cluster theory: Symmetric dissociation of water Chemical Physics Letters. 404: 284-288. DOI: 10.1016/j.cplett.2005.01.101  1
2004 Abrams ML, Sherrill CD. Full configuration interaction potential energy curves for the X (1)Sigma(g) (+), B (1)Delta(g), and B(') (1)Sigma(g) (+) states of C(2): a challenge for approximate methods. The Journal of Chemical Physics. 121: 9211-9. PMID 15538841 DOI: 10.1063/1.1804498  1
2004 Abrams ML, Sherrill CD. Natural orbitals as substitutes for optimized orbitals in complete active space wavefunctions Chemical Physics Letters. 395: 227-232. DOI: 10.1016/j.cplett.2004.07.081  1
2003 Abrams ML, Sherrill CD. A comparison of polarized double-zeta basis sets and natural orbitals for full configuration interaction benchmarks Journal of Chemical Physics. 118: 1604-1609. DOI: 10.1063/1.1532313  1
2003 Abrams ML, Sherrill CD. An assessment of the accuracy of multireference configuration interaction (MRCI) and complete-active-space second-order perturbation theory (CASPT2) for breaking bonds to hydrogen Journal of Physical Chemistry A. 107: 5611-5616. DOI: 10.1021/jp034669e  1
2002 Abrams ML, Valeev EF, Sherrill CD, Crawford TD. The equilibrium geometry, harmonic vibrational frequencies, and estimated ab initio limit for the barrier to planarity of the ethylene radical cation Journal of Physical Chemistry A. 106: 2671-2675. DOI: 10.1021/jp0134143  1
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