Laimutis Bytautas




 Assistant Professor of Chemistry




 Instructor of Chemistry


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Degree Date          

Other Qualifications

Vanderbilt University


Doctorate 12/1996


Vilniaus University


Bachelor 8/1990







Galveston College

Adjunct Instructor - Chemistry


Houston Community College

Adjunct Instructor - Chemistry


Texas Southern University

Adjunct Instructor - Physics

2012 - 2013

Lone Star College, CyFair

Adjunct Instructor - Chemistry

2012 - 2013

Baylor College of Medicine

Research Associate

10/2012 – 11/2012

Rice University

Senior Research Associate/Research Scientist

2/2010 – 8/2012

Iowa State University

Assistant Scientist/Postdoctoral Research Associate

1999 - 2010

Texas A&M University at Galveston

Postdoctoral Research Associate

1996 - 1999


L. Bytautas, G. E. Scuseria, K. Ruedenberg

“Seniority number description of potential energy surfaces: symmetric dissociation of water, N2, C2, and Be2”.

Journal of Chemical Physics 143, 094105 (2015).
D. Bhattacharya, S. Shil, A. Misra, L. Bytautas, D. J. Klein “Photomagnetic and Non Linear Optical Properties in cis-trans Green Fluoroprotein Chromophore Coupled Bis-Imino Nitroxide Diradicals.“ International Journal of Quantum Chemistry 115, 1561 (2015).
D. Bhattacharya, S. Shil, A. Misra, L. Bytautas, D. J. Klein Borazine: spin blocker or not?  Phys. Chem. Chem. Phys. 17, 14223 (2015).
L. Bytautas, C. A. Jiménez-Hoyos, R. Rodríguez-Guzmán and G. E. Scuseria

“Potential energy curves for Mo2: multi-component symmetry-projected Hartree–Fock and beyond.

Molecular Physics 112, 1938 (2014).
L. Bytautas “Stability of dimethylmercury and related mercury-containing compounds with respect to selected chemical species found in aqueous environment.” Croatica Chemica Acta  86, 453 (2013).

L. Bytautas, N. Matsunaga, G. E. Scuseria, K. Ruedenberg

“Accurate potential energy curve for B2. Ab initio elucidation of the experimentally elusive ground state rotation-vibration spectrum.”

Journal of Physical Chemistry A, 116, 1717 (2012).

L. Bytautas, T. M. Henderson, C. A. Jiménez-Hoyos, J. Ellis and G. E. Scuseria

Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy.”

Journal of Chemical Physics 135, 044119 (2011).

L. Bytautas, N. Matsunaga, K. Ruedenberg

“Accurate ab initio Potential Energy Curve of O2. II. Core-valence Correlations, Relativistic Contributions and the Vibrational-Rotation Spectrum.”

Journal of Chemical Physics 132, 074307 (2010).

L. Bytautas, K. Ruedenberg

“Ab initio potential energy curve of F2. IV. Transition from the covalent to the van der Waals region: Competition between multipolar and  correlation forces.”

Journal of Chemical Physics 130, 204101 (2009).

L. Bytautas, K. Ruedenberg

“Correlation Energy and Dispersion Interaction in the ab initio Potential Energy Curve of the Neon Dimer.”

Journal of Chemical Physics 128, 214308 (2008).

L. Bytautas, N. Matsunaga, T. Nagata, M. S. Gordon, K. Ruedenberg

“Accurate ab initio Potential Energy Curve of F2. III.   The Vibration Rotation Spectrum.”

Journal of Chemical Physics 127, 204313 (2007).

L. Bytautas, K. Ruedenberg

“Correlation Energy Extrapolation by Intrinsic Scaling. IV.  Accurate Binding Energies of the Homonuclear Diatomic Molecules Carbon, Nitrogen, Oxygen  and Fluorine.” 

Journal of Chemical Physics 122, 154110 (2005).

W. C. Lu, C. Z.Wang, M. W. Schmidt, L. Bytautas, K. M. Ho, K. Ruedenberg

“Molecule  Intrinsic Minimal Basis Sets.I. Exact Resolution of Ab initio Optimized Molecular Orbitals in terms of deformed Atomic Minimal-Basis Orbitals.

Journal of Chemical Physics 120, 2629 (2004).

L. Bytautas, D. J. Klein, T. G. Schmalz        

“All acyclic hydrocarbons: formula periodic table and property overlap plots via chemical combinatorics.”

New Journal of Chemistry 
, 329 (2000).

L. Bytautas,  D. J. Klein, M. Randić and T. Pisanski

“Foldedness in Linear Polymers: A Difference between Graphical and Euclidean Distances.

DIMACS  Series in Discrete Mathematics and Theoretical Computer Science 51, 39 (2000).

D. J. Klein  and  L. Bytautas

“Graphitic Edges and Unpaired pi-electron Spins.

Journal of Physical Chemistry A  103, 5196 (1999).

L. Bytautas and D. J. Klein

“Symmetry Aspects of Nonrigid Molecules and Transition Structures in Chemical Reactions.”

International Journal of Quantum Chem. 70,  205 (1998).


Updated 10/9/2015 - Content Author duyehara