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Bala R. Ramachandran - Publications

Affiliations: 
Louisiana Tech University, Ruston, LA, United States 
Area:
computational chemistry, computational materials science
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27 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
2020 Gutsev GL, López Peña HA, McPherson SL, Ampadu Boateng D, Ramachandran BR, Gutsev LG, Tibbetts KM. From Neutral Aniline to Aniline Trication: A Computational and Experimental Study. The Journal of Physical Chemistry. A. PMID 32233368 DOI: 10.1021/Acs.Jpca.0C00686  0.316
2018 Gutsev GL, Belay KG, Gutsev LG, Ramachandran BR, Jena P. Effect of hydrogenation on the structure and magnetic properties of an iron oxide cluster. Physical Chemistry Chemical Physics : Pccp. PMID 29376164 DOI: 10.1039/C7Cp08224J  0.307
2017 Gutsev GL, Belay KG, Gutsev LG, Ramachandran BR. Geometrical and magnetic structure of iron oxide clusters (FeO) n for n >10 Computational Materials Science. 137: 134-143. DOI: 10.1016/J.Commatsci.2017.05.028  0.31
2015 Gutsev GL, Weatherford CA, Ramachandran BR, Gutsev LG, Zheng WJ, Thomas OC, Bowen KH. Photoelectron spectra and structure of the Mnn (-) anions (n = 2-16). The Journal of Chemical Physics. 143: 044306. PMID 26233128 DOI: 10.1063/1.4926943  0.307
2015 Gutsev GL, Belay KG, Weatherford CA, Ramachandran BR, Gutsev LG, Jena P. Structure and Properties of Polyfluoride Fn– Clusters (n = 3–29) Journal of Physical Chemistry A. 119: 6483-6492. PMID 25974113 DOI: 10.1021/Acs.Jpca.5B02431  0.343
2015 Gutsev LG, Dalal NS, Ramachandran BR, Weatherford CA, Gutsev GL. Spectral signatures of semiconductor clusters: (CdSe)16 isomers Chemical Physics Letters. 636: 121-128. DOI: 10.1016/J.Cplett.2015.07.024  0.323
2013 Gutsev GL, Weatherford CW, Belay KG, Ramachandran BR, Jena P. An all-electron density functional theory study of the structure and properties of the neutral and singly charged M12 and M13 clusters: M = Sc-Zn. The Journal of Chemical Physics. 138: 164303. PMID 23635134 DOI: 10.1063/1.4799917  0.303
2013 Gutsev G, Weatherford C, Jena P, Johnson E, Ramachandran B. Competition between surface chemisorption and cage formation in Fe12O12 clusters Chemical Physics Letters. 556: 211-216. DOI: 10.1016/J.Cplett.2012.11.054  0.329
2012 Gutsev GL, Weatherford CA, Jena P, Johnson E, Ramachandran BR. Structural Patterns in Carbon Chemisorption on an Icosahedral 2 Iron Cluster The Journal of Physical Chemistry C. 116: 7050-7061. DOI: 10.1021/Jp300403P  0.301
2010 Ramachandran B, Kharidehal P, Pratt LM, Voit S, Okeke FN, Ewan M. Computational strategies for reactions of aggregated and solvated organolithium carbenoids. The Journal of Physical Chemistry. A. 114: 8423-33. PMID 20666488 DOI: 10.1021/Jp104246K  0.325
2007 Pasumansky L, Collins CJ, Pratt LM, Nguyên NV, Ramachandran B, Singaram B. Solvent and temperature effects on the reduction and amination reactions of electrophiles by lithium dialkylaminoborohydrides. The Journal of Organic Chemistry. 72: 971-6. PMID 17253818 DOI: 10.1021/Jo062154O  0.305
2007 Halpern AM, Ramachandran BR, Glendening ED. The Inversion Potential of Ammonia: An Intrinsic Reaction Coordinate Calculation for Student Investigation Journal of Chemical Education. 84: 1067. DOI: 10.1021/Ed084P1067  0.323
2006 Ramachandran B. Scaling dynamical correlation energy from density functional theory correlation functionals. Journal of Physical Chemistry A. 110: 396-403. PMID 16405310 DOI: 10.1021/Jp050584X  0.314
2005 Xie T, Bowman J, Duff JW, Braunstein M, Ramachandran B. Quantum and quasiclassical studies of the O(3P)+HCl-->OH+Cl(2P) reaction using benchmark potential surfaces. The Journal of Chemical Physics. 122: 14301. PMID 15638653 DOI: 10.1063/1.1819331  0.328
2005 Pratt LM, Vǎn Nguỹên N, Ramachandran B. Computational strategies for evaluating barrier heights for gas-phase reactions of lithium enolates Journal of Organic Chemistry. 70: 4279-4283. DOI: 10.1021/Jo0503409  0.359
2003 Xie T, Bowman JM, Peterson KA, Ramachandran B. Quantum calculations of the rate constant for the O(3P)+HCl reaction on new ab initio 3A″ and 3A′ surfaces The Journal of Chemical Physics. 119: 9601-9608. DOI: 10.1063/1.1612918  0.35
2003 Ramachandran B, Srivani Vegesna N, Peterson KA. Effects of electron correlation and scalar relativistic corrections on the thermochemical and spectroscopic properties of HOF Journal of Physical Chemistry A. 107: 7938-7944. DOI: 10.1021/Jp035266H  0.349
2002 Pratt LM, Ramachandran B, Xidos JD, Cramer CJ, Truhlar DG. Structures and aggregation states of fluoromethyllithium and chloromethyllithium carbenoids in the gas phase and in ethereal solvent. The Journal of Organic Chemistry. 67: 7607-12. PMID 12398479 DOI: 10.1021/Jo026022G  0.32
2001 Skokov S, Zou S, Bowman JM, Allison TC, Truhlar DG, Lin Y, Ramachandran B, Garrett BC, Lynch BJ. Thermal and State-Selected Rate Coefficients for the O(3P) + HCl Reaction and New Calculations of the Barrier Height and Width† The Journal of Physical Chemistry A. 105: 2298-2307. DOI: 10.1021/Jp003783J  0.38
2000 Ramachandran B, Balakrishnan N, Dalgarno A. Vibrational–rotational distributions of NO formed from N+O2 reactive collisions Chemical Physics Letters. 332: 562-568. DOI: 10.1016/S0009-2614(00)01302-6  0.362
1999 Ramachandran B, Schraderlll EA, Senekowitsch J, Wyatt RE. Dynamics of the O(3P)+HCl reaction on the 3A″ electronic state: A new ab initio potential energy surface, quasi-classical trajectory study, and comparison to experiment Journal of Chemical Physics. 111: 3862-3873. DOI: 10.1063/1.480264  0.354
1998 Allison TC, Ramachandran B, Senekowitsch J, Truhlar DG, Wyatt RE. Variational transition state theory calculations of thermal rate coefficients for the O(3P)+HCl reaction Journal of Molecular Structure: Theochem. 454: 307-314. DOI: 10.1016/S0166-1280(98)00300-5  0.363
1996 Ramachandran B, Senekowitsch J, Wyatt RE. A new potential surface for the reaction O(3P) + HCl(X1Σ+) → OH (X2Π) + Cl(2P) Journal of Molecular Structure: Theochem. 388: 57-63. DOI: 10.1016/S0166-1280(96)04692-1  0.354
1994 Wu X, Ramachandran B, Wyatt RE. A single arrangement variational method for reactive scattering: Total and state-resolved reaction probabilities The Journal of Chemical Physics. 101: 9395-9404. DOI: 10.1063/1.467970  0.309
1992 Halpern AM, Ramachandran BR. Photophysics of a sterically crowded tertiary-saturated amine : triisopropylamine The Journal of Physical Chemistry. 96: 9832-9839. DOI: 10.1021/J100203A047  0.345
1990 Ramachandran B, Kay KG. Semiclassical expectation values by adiabatic switching: Trapping and tunneling in the chaotic regime. Physical Review A. 41: 1757-1781. PMID 9903288 DOI: 10.1103/Physreva.41.1757  0.314
1990 Ramachandran B, D'Mello M, Wyatt RE. The Newton variational functional for the log-derivative matrix: Use of the reference energy Green's function in an exchange problem The Journal of Chemical Physics. 93: 8110-8121. DOI: 10.1063/1.459341  0.309
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