☰

Jayendran C. Rasaiah - Publications

Affiliations: 
Chemistry The University of Maine, Orono, ME, United States 
Area:
Physical and Biophysical Chemistry, Theoretical and Computational Chemistry
Tree Info Similar researchers PubMed Report error

84 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
2023 Perera DC, Rasaiah JC. Computational Study of HO Adsorption, Hydrolysis, and Water Splitting on (ZnO) Nanoclusters Deposited on Graphene and Graphene Oxides. Acs Omega. 8: 32185-32203. PMID 37692258 DOI: 10.1021/acsomega.3c04882  0.763
2022 Perera DC, Rasaiah JC. Exchange Functionals and Basis Sets for Density Functional Theory Studies of Water Splitting on Selected ZnO Nanocluster Catalysts. Acs Omega. 7: 12556-12569. PMID 35474813 DOI: 10.1021/acsomega.1c05666  0.774
2021 Farshad M, Perera DC, Rasaiah JC. Theoretical study of the stability, structure, and optical spectra of small silver clusters and their formation using density functional theory. Physical Chemistry Chemical Physics : Pccp. PMID 34698740 DOI: 10.1039/d1cp04070g  0.773
2021 Farshad M, Rasaiah JC. Light-Nucleotide versus Ion-Nucleotide Interactions for Single-Nucleotide Resolution. The Journal of Physical Chemistry. B. PMID 33688740 DOI: 10.1021/acs.jpcb.0c10759  0.56
2021 Suvlu D, Thirumalai D, Rasaiah JC. Water-Mediated Interactions Determine Helix Formation of Peptides in Open Nanotubes. The Journal of Physical Chemistry. B. 125: 817-824. PMID 33464101 DOI: 10.1021/acs.jpcb.0c10178  0.796
2020 Farshad M, Rasaiah JC. Reverse Translocation of Nucleotides Through a Carbon Nanotube. The Journal of Physical Chemistry. B. PMID 31917564 DOI: 10.1021/Acs.Jpcb.9B09587  0.646
2020 Farshad M, Rasaiah JC. Molecular Dynamics Simulation Study of Transverse and Longitudinal Ionic Currents in Solid-State Nanopore DNA Sequencing Acs Applied Nano Materials. 3: 1438-1447. DOI: 10.1021/acsanm.9b02280  0.538
2020 Suvlu D, Farshad M, Rasaiah JC. Nanocluster Growth and Coalescence Modulated by Ligands Journal of Physical Chemistry C. 124: 17340-17346. DOI: 10.1021/Acs.Jpcc.0C04459  0.737
2020 Perera DC, Hewage JW, Rasaiah JC. Acetic acid and propionic acid decarboxylation on Mg(OH) 2 nanoclusters: a density functional theory study Journal of Materials Science. 1-14. DOI: 10.1007/S10853-020-05196-Z  0.759
2019 Farshad M, Suvlu D, Rasaiah JC. Ligand-Mediated Nanocluster Formation with Classical and Autocatalytic Growth The Journal of Physical Chemistry C. 123: 29954-29963. DOI: 10.1021/Acs.Jpcc.9B07683  0.759
2017 Suvlu D, Samaratunga S, Thirumalai D, Rasaiah JC. Thermodynamics of Helix-Coil Transitions of Polyalanine in Open Carbon Nanotubes. The Journal of Physical Chemistry Letters. PMID 28060517 DOI: 10.1021/Acs.Jpclett.6B02620  0.732
2013 Lee SH, Rasaiah JC. Proton transfer and the diffusion of H+ and OH- ions along water wires. The Journal of Chemical Physics. 139: 124507. PMID 24089786 DOI: 10.1063/1.4821764  0.584
2013 Lee SH, Rasaiah JC. Note: recombination of H+ and OH- ions along water wires. The Journal of Chemical Physics. 139: 036102. PMID 23883061 DOI: 10.1063/1.4811294  0.593
2012 Waghe A, Rasaiah JC, Hummer G. Entropy of single-file water in (6,6) carbon nanotubes. The Journal of Chemical Physics. 137: 044709. PMID 22852646 DOI: 10.1063/1.4737842  0.793
2011 Lee SH, Rasaiah JC. Proton transfer and the mobilities of the H+ and OH- ions from studies of a dissociating model for water. The Journal of Chemical Physics. 135: 124505. PMID 21974533 DOI: 10.1063/1.3632990  0.586
2010 Yin H, Feng G, Clore GM, Hummer G, Rasaiah JC. Water in the polar and nonpolar cavities of the protein interleukin-1β. The Journal of Physical Chemistry. B. 114: 16290-7. PMID 21047091 DOI: 10.1021/Jp108731R  0.745
2010 Lee SH, Rasaiah JC. Local dynamics and structure of the solvated hydroxide ion in water Molecular Simulation. 36: 69-73. DOI: 10.1080/08927020903115252  0.603
2010 Silwal IKC, Rasaiah JC, Szulejko JE, Solouki T. Proton transfer reactions of halogenated compounds: Using gas chromatography/Fourier transform ion cyclotron resonance mass spectrometry (GC/FT-ICR MS) and ab initio calculations International Journal of Mass Spectrometry. 293: 1-11. DOI: 10.1016/J.Ijms.2010.03.003  0.385
2009 Solouki T, Rasaiah JC, Szulejko JE, Silwal IK. Characterization of petroleum samples by GC/FT-ICR MS Acs National Meeting Book of Abstracts.  0.767
2008 Rasaiah JC, Zhu J. Reaction coordinates for electron transfer reactions. The Journal of Chemical Physics. 129: 214503. PMID 19063565 DOI: 10.1063/1.3026365  0.54
2008 Rasaiah JC, Garde S, Hummer G. Water in nonpolar confinement: from nanotubes to proteins and beyond. Annual Review of Physical Chemistry. 59: 713-40. PMID 18092942 DOI: 10.1146/Annurev.Physchem.59.032607.093815  0.575
2008 Silwal IK, Luo Z, Rasaiah JC, Solouki T. Gas chromatography/Fourier transform ion cyclotron resonance mass spectrometry and ab initio proton affinity calculations of hydrocarbon isomers in petroleum Acs National Meeting Book of Abstracts.  0.753
2007 Yin H, Hummer G, Rasaiah JC. Metastable water clusters in the nonpolar cavities of the thermostable protein tetrabrachion. Journal of the American Chemical Society. 129: 7369-77. PMID 17508748 DOI: 10.1021/Ja070456H  0.629
2007 Du H, Rasaiah JC, Miller JD. Structural and dynamic properties of concentrated alkali halide solutions: a molecular dynamics simulation study. The Journal of Physical Chemistry. B. 111: 209-17. PMID 17201445 DOI: 10.1021/Jp064659O  0.395
2005 Vaitheeswaran S, Yin H, Rasaiah JC. Water between plates in the presence of an electric field in an open system. The Journal of Physical Chemistry. B. 109: 6629-35. PMID 16851744 DOI: 10.1021/Jp045591K  0.789
2004 Vaitheeswaran S, Yin H, Rasaiah JC, Hummer G. Water clusters in nonpolar cavities. Proceedings of the National Academy of Sciences of the United States of America. 101: 17002-5. PMID 15572444 DOI: 10.1073/Pnas.0407968101  0.795
2004 Vaitheeswaran S, Rasaiah JC, Hummer G. Electric field and temperature effects on water in the narrow nonpolar pores of carbon nanotubes. The Journal of Chemical Physics. 121: 7955-65. PMID 15485258 DOI: 10.1063/1.1796271  0.802
2001 Hummer G, Rasaiah JC, Noworyta JP. Water conduction through the hydrophobic channel of a carbon nanotube Nature. 414: 188-190. PMID 11700553 DOI: 10.1038/35102535  0.797
2001 Lynden-Bell RM, Rasaiah JC, Noworyta JP. Using simulation to study solvation in water Pure and Applied Chemistry. 73: 1721-1731. DOI: 10.1351/Pac200173111721  0.799
2001 Rasaiah JC, Lynden-Bell RM. Computer simulation studies of the structure and dynamics of ions and non-polar solutes in water Philosophical Transactions of the Royal Society a: Mathematical, Physical and Engineering Sciences. 359: 1545-1574. DOI: 10.1098/Rsta.2001.0865  0.617
2001 Koneshan S, Rasaiah JC, Dang LX. Computer simulation studies of aqueous solutions at ambient and supercritical conditions using effective pair potential and polarizable potential models for water Journal of Chemical Physics. 114: 7544-7555. DOI: 10.1063/1.1350447  0.394
2000 Koneshan S, Rasaiah JC. Computer simulation studies of aqueous sodium chloride solutions at 298 K and 683 K Journal of Chemical Physics. 113: 8125-8137. DOI: 10.1063/1.1314341  0.387
2000 Noworyta JP, Koneshan S, Rasaiah JC. Dynamics of aqueous solutions of ions and neutral solutes at infinite dilution at a supercritical temperature of 683 K Journal of the American Chemical Society. 122: 11194-11202. DOI: 10.1021/Ja001978Z  0.792
2000 Rasaiah JC, Noworyta JP, Koneshan S. Structure of aqueous solutions of ions and neutral solutes at infinite dilution at a supercritical temperature of 683 K Journal of the American Chemical Society. 122: 11182-11193. DOI: 10.1021/ja001978z  0.794
1998 Koneshan S, Rasaiah JC, Lynden-Bell RM, Lee SH. Solvent structure, dynamics, and ion mobility in aqueous solutions at 25 °C Journal of Physical Chemistry B. 102: 4193-4204. DOI: 10.1021/Jp980642X  0.691
1998 Koneshan S, Lynden-Bell RM, Rasaiah JC. Friction coefficients of ions in aqueous solution at 25 °C Journal of the American Chemical Society. 120: 12041-12050. DOI: 10.1021/Ja981997X  0.59
1997 Lynden-Bell RM, Rasaiah JC. From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes Journal of Chemical Physics. 107: 1981-1991. DOI: 10.1063/1.474550  0.605
1996 Lynden-Bell RM, Rasaiah JC. Mobility and solvation of ions in channels Journal of Chemical Physics. 105: 9266-9280. DOI: 10.1063/1.472757  0.578
1996 Lee SH, Rasaiah JC. Molecular Dynamics Simulation of Ion Mobility. 2. Alkali Metal and Halide Ions Using the SPC/E Model for Water at 25 °C† The Journal of Physical Chemistry. 100: 1420-1425. DOI: 10.1021/Jp953050C  0.589
1994 Lee SH, Rasaiah JC. Molecular dynamics simulation of ionic mobility. I. Alkali metal cations in water at 25 °C The Journal of Chemical Physics. 101: 6964-6974. DOI: 10.1063/1.468323  0.619
1994 Zhu J, Rasaiah JC. Solvent dynamical effects on electron transfer reactions The Journal of Chemical Physics. 101: 9966-9981. DOI: 10.1063/1.467899  0.555
1993 Rasaiah JC, Zhu J. An integral equation approximation for the dynamics of reversible electron-transfer reactions The Journal of Chemical Physics. 98: 1213-1227. DOI: 10.1063/1.464343  0.577
1992 Zhu J, Rasaiah JC. Erratum: Dynamics of reversible electron transfer reactions [J. Chem. Phys. 95, 3325 (1991)] The Journal of Chemical Physics. 97: 8819-8819. DOI: 10.1063/1.464005  0.513
1992 Zhu J, Rasaiah JC. Reversible electron transfer dynamics in non-Debye solvents The Journal of Chemical Physics. 96: 1435-1443. DOI: 10.1063/1.462179  0.55
1991 Zhu J, Rasaiah JC. Dynamics of reversible electron transfer reactions The Journal of Chemical Physics. 95: 3325-3340. DOI: 10.1063/1.460838  0.541
1991 Zhu J, Rasaiah JC. Unsymmetrical electrolytes with adhesive interactions The Journal of Chemical Physics. 94: 3141-3149. DOI: 10.1063/1.459784  0.57
1990 Rasaiah JC, Zhu J, Hubbard JB, Rubin RJ. Fluctuation dominated recombination kinetics with traps The Journal of Chemical Physics. 93: 5768-5774. DOI: 10.1063/1.459571  0.712
1990 Zhu J, Rasaiah JC. Erratum: Solvent effects in weak electrolytes. II. Dipolar hard sphere solvent and the sticky electrolyte model with L=σ [J. Chem. Phys. 91, 505 (1989)] The Journal of Chemical Physics. 92: 4636-4636. DOI: 10.1063/1.458620  0.54
1990 Rasaiah JC, Zhu J, Lee SH. Erratum: Solvent effects in weak electrolytes. I. Effect of a hard sphere solvent on the sticky electrolyte model with L=σ [J. Chem. Phys. 91, 495 (1989)] The Journal of Chemical Physics. 92: 4636-4636. DOI: 10.1063/1.458619  0.646
1990 Rasaiah JC, Zhu J. Cavity functions and association in models for weak electrolytes and sticky hard spheres The Journal of Chemical Physics. 92: 7554-7564. DOI: 10.1063/1.458191  0.56
1990 Rasaiah JC, Hubbard JB, Rubin RJ, Lee SH. Kinetics of bimolecular recombination processes with trapping Journal of Physical Chemistry. 94: 652-662. DOI: 10.1021/J100365A028  0.696
1990 Rasaiah JC. A model for weak electrolytes International Journal of Thermophysics. 11: 1-11. DOI: 10.1007/Bf00503854  0.404
1989 Zhu J, Rasaiah JC. Solvent effects in weak electrolytes. II. Dipolar hard sphere solvent and the sticky electrolyte model with L=σ The Journal of Chemical Physics. 91: 505-516. DOI: 10.1063/1.457486  0.59
1989 Rasaiah JC, Zhu J, Lee SH. Solvent effects in weak electrolytes. I. Effect of a hard sphere solvent on the sticky electrolyte model with L=σ The Journal of Chemical Physics. 91: 495-504. DOI: 10.1063/1.457485  0.684
1988 Rasaiah JC, Lee SH. Erratum: The equilibrium properties of charged hard spheres with adhesive interactions between opposite charged ions [J. Chem. Phys. 83, 6396 (1987)] The Journal of Chemical Physics. 88: 2093-2094. DOI: 10.1063/1.454765  0.532
1988 Lee SH, Rasaiah JC. Erratum: Chemical ion association and dipolar dumbbells in the mean spherical approximation [J. Chem. Phys. 86, 983 (1987)] The Journal of Chemical Physics. 88: 2093-2093. DOI: 10.1063/1.454764  0.473
1986 Lee SH, Rasaiah JC. Chemical ion association and dipolar dumbbells in the mean spherical approximation The Journal of Chemical Physics. 86: 983-994. DOI: 10.1063/1.452246  0.565
1986 Lee SH, Rasaiah JC, Hubbard JB. Molecular dynamics study of a dipolar fluid between charged plates. II The Journal of Chemical Physics. 86: 2383-2393. DOI: 10.1063/1.452086  0.708
1985 Lee SH, Rasaiah JC, Cummings PT. A model for association in electrolytes. Analytic solution of the hypernetted‐chain/mean spherical approximation The Journal of Chemical Physics. 83: 317-325. DOI: 10.1063/1.449772  0.57
1985 Rasaiah JC, Lee SH. Ion association and dipolar dumbbells: Solutions of the HNC and HNC/MS approximations at L = σ/2 and σ/3 for the sticky electrolyte model The Journal of Chemical Physics. 83: 5870-5881. DOI: 10.1063/1.449617  0.556
1985 Rasaiah JC, Lee SH. The equilibrium properties of charged hard spheres with adhesive interactions between oppositely charged ions The Journal of Chemical Physics. 83: 6396-6404. DOI: 10.1063/1.449538  0.564
1982 Rasaiah JC. Electrostriction and the dielectric constant of a simple polar fluid The Journal of Chemical Physics. 77: 5710-5713. DOI: 10.1063/1.443778  0.362
1982 Rasaiah JC, Isbister D, Eggebrecht J. Erratum: Polarization density profiles for dipoles against an electrified wall in the MS and RLHNC approximations [J. Chem. Phys. 75, 5497 (1981)] The Journal of Chemical Physics. 76: 5190-5190. DOI: 10.1063/1.443583  0.77
1982 Rasaiah JC, Isbister D, Stell G. Erratum: Nonlinear effects in polar fluids: A molecular theory of electrostriction [J. Chem. Phys. 75, 4707 (1981)] The Journal of Chemical Physics. 76: 5190-5190. DOI: 10.1063/1.443582  0.766
1981 Rasaiah JC, Isbister DJ, Stell G. Nonlinear effects in polar fluids: A molecular theory of electrostriction Journal of Chemical Physics. 75: 4707-4718. DOI: 10.1063/1.442588  0.779
1981 Rasaiah JC, Isbister DJ, Eggebrecht J. Polarization density profiles for dipoles against an electrified wall in the MS and RLHNC approximations The Journal of Chemical Physics. 75: 5497-5502. DOI: 10.1063/1.441953  0.783
1981 Rasaiah JC, Isbister DJ, Steel G. Electrostriction and dipolar ordering at an electrified wall Chemical Physics Letters. 79: 189-192. DOI: 10.1016/0009-2614(81)80184-4  0.781
1981 Rasaiah JC, Isbister DJ, Stell G. Nonlinear effects in polar fluids: A molecular theory of electrostriction The Journal of Chemical Physics. 75: 4707-4718.  0.776
1980 Eggebrecht JM, Isbister DJ, Rasaiah JC. The adsorption of dipoles at a wall in the presence of an electric field: The RLHNC approximation The Journal of Chemical Physics. 73: 3980-3986. DOI: 10.1063/1.440623  0.782
1977 Larsen1 B, Rasaiah JC, Stell G. Thermodynamic perturbation theory for multipolar and ionic liquids Molecular Physics. 33: 987-1027. DOI: 10.1080/00268977700100901  0.522
1977 Adams DJ, Rasaiah JC. Monte Carlo study of two ions in a Stockmayer solvent Faraday Discussions of the Chemical Society. 64: 22-32. DOI: 10.1039/Dc9776400022  0.354
1975 Rasaiah JC, Larsen B, Stell G. Thermodynamic perturbation theory for potentials of multipolar symmetry. I Journal of Chemical Physics. 63: 722-733. DOI: 10.1063/1.431350  0.52
1975 McDonald IR, Rasaiah JC. Monte Carlo simulation of the average force between two ions in a Stockmayer solvent Chemical Physics Letters. 34: 382-386. DOI: 10.1016/0009-2614(75)85299-7  0.319
1974 Stell G, Rasaiah JC, Narang H. Thermodynamic perturbation theory for simple polar fluids. II Molecular Physics. 27: 1393-1414. DOI: 10.1080/00268977400101181  0.541
1974 Rasaiah JC, Stell G. Three-body free-energy terms and effective potentials in polar fluids and ionic solutions Chemical Physics Letters. 25: 519-522. DOI: 10.1016/0009-2614(74)85357-1  0.302
1973 Rasaiah JC. A view of electrolyte solutions Journal of Solution Chemistry. 2: 301-338. DOI: 10.1007/978-1-4613-4511-4_11  0.35
1972 Rasaiah JC. Computations for higher valence electrolytes in the restricted primitive model The Journal of Chemical Physics. 56: 3086-3093. DOI: 10.1063/1.1677643  0.366
1972 Rasaiah JC, Card DN, Valleau JP. Calculations on the ``Restricted Primitive Model'' for 1–1 Electrolyte Solutions Journal of Chemical Physics. 56: 248-255. DOI: 10.1063/1.1676854  0.319
1970 Rasaiah J, Stell G. Upper bounds on free energies in terms of hard-sphere results Molecular Physics. 18: 249-260. DOI: 10.1080/00268977000100261  0.512
1970 Rasaiah JC. Equilibrium properties of ionic solutions; The primitive model and its modification for aqueous solutions of the alkali halides at 25°C The Journal of Chemical Physics. 52: 704-715. DOI: 10.1063/1.1673043  0.328
1970 Rasaiah J. The hypernetted chain (HNC) equation for higher valence electrolytes Chemical Physics Letters. 7: 260-264. DOI: 10.1016/0009-2614(70)80303-7  0.319
1969 Rasaiah JC, Friedman HL. Integral Equation Computations for Aqueous 1–1 Electrolytes. Accuracy of the Method Journal of Chemical Physics. 50: 3965-3976. DOI: 10.1063/1.1671657  0.504
1968 Rasaiah JC, Friedman HL. Integral Equation Methods in the Computation of Equilibrium Properties of Ionic Solutions Journal of Chemical Physics. 48: 2742-2752. DOI: 10.1063/1.1669510  0.506
1968 Rasaiah JC, Friedman HL. Charged square-well model for ionic solutions The Journal of Physical Chemistry. 72: 3352-3353. DOI: 10.1021/J100855A056  0.525
Show low-probability matches.