Characterization of excess electrons in water-cluster anions by quantum simulations L Turi, WS Sheu, PJ Rossky Science 309 (5736), 914-917, 2005 | 300 | 2005 |
Correcting for basis set superposition error in aggregates containing more than two molecules: ambiguities in the calculation of the counterpoise correction L Turi, JJ Dannenberg The Journal of Physical Chemistry 97 (11), 2488-2490, 1993 | 300 | 1993 |
Theoretical studies of spectroscopy and dynamics of hydrated electrons L Turi, PJ Rossky Chemical reviews 112 (11), 5641-5674, 2012 | 221 | 2012 |
Analytical investigations of an electron–water molecule pseudopotential. II. Development of a new pair potential and molecular dynamics simulations L Turi, D Borgis The Journal of chemical physics 117 (13), 6186-6195, 2002 | 193 | 2002 |
Molecular orbital study of acetic acid aggregation. 1. Monomers and dimers L Turi, JJ Dannenberg The Journal of Physical Chemistry 97 (47), 12197-12204, 1993 | 181 | 1993 |
Molecular orbital studies of CH... O hydrogen-bonded complexes L Turi, JJ Dannenberg The Journal of Physical Chemistry 97 (30), 7899-7909, 1993 | 161 | 1993 |
Comment on ''Does the Hydrated Electron Occupy a Cavity?'' L Turi, Á Madarász Science 331, 1387, 2011 | 117* | 2011 |
Ab initio molecular orbital analysis of dimers of cis-formic acid. Implications for condensed phases L Turi The Journal of Physical Chemistry 100 (27), 11285-11291, 1996 | 97 | 1996 |
Acidity of hydroxamic acids: an ab initio and semiempirical study ON Ventura, JB Rama, L Turi, JJ Dannenberg Journal of the American Chemical Society 115 (13), 5754-5761, 1993 | 94 | 1993 |
Role of the C− H⊙⊙⊙ O Hydrogen Bonds in Liquids: A Monte Carlo Simulation Study of Liquid Formic Acid Using a Newly Developed Pair-Potential P Jedlovszky, L Turi The Journal of Physical Chemistry B 101 (27), 5429-5436, 1997 | 89* | 1997 |
Molecular orbital study of crystalline acetic Acid. 2. Aggregates in one, two, and three dimensions L Turi, JJ Dannenberg Journal of the American Chemical Society 116 (19), 8714-8721, 1994 | 84 | 1994 |
Analytical investigations of an electron–water molecule pseudopotential. I. Exact calculations on a model system L Turi, MP Gaigeot, N Levy, D Borgis The Journal of Chemical Physics 114 (18), 7805-7815, 2001 | 78 | 2001 |
Excess electron relaxation dynamics at water/air interfaces Á Madarász, PJ Rossky, L Turi The Journal of chemical physics 126 (23), 2007 | 77 | 2007 |
Proximity Effects on Nuclear Spin-Spin Coupling Constants. 1. J (CH) Couplings in the Vicinity of an Atom Bearing Lone Pairs C Vizioli, MC Ruiz de Azúa, CG Giribet, RH Contreras, L Turi, ... The Journal of Physical Chemistry 98 (36), 8858-8861, 1994 | 76 | 1994 |
Interior-and surface-bound excess electron states in large water cluster anions Á Madarász, PJ Rossky, L Turi The Journal of chemical physics 130 (12), 2009 | 74 | 2009 |
Equilibrium structure, fluctuations, and spectroscopy of a solvated electron in methanol L Turi, A Mosyak, PJ Rossky The Journal of chemical physics 107 (6), 1970-1980, 1997 | 69 | 1997 |
Gas-phase structure and acidity of formohydroxamic acid and formamide: a comparative ab initio study ON Ventura, JB Rama, L Turi, JJ Dannenberg The Journal of Physical Chemistry 99 (1), 131-136, 1995 | 65 | 1995 |
Excess electron localization sites in neutral water clusters L Turi, Á Madarász, PJ Rossky The Journal of chemical physics 125 (1), 2006 | 62 | 2006 |
A new five-site pair potential for formic acid in liquid simulations P Jedlovszky, L Turi The Journal of Physical Chemistry A 101 (14), 2662-2665, 1997 | 60 | 1997 |
Quantized time correlation function approach to nonadiabatic decay rates in condensed phase: Application to solvated electrons in water and methanol D Borgis, PJ Rossky, L Turi The Journal of chemical physics 125 (6), 2006 | 51 | 2006 |