검색결과 : 19건
| No. | Article |
|---|---|
| 1 |
Virtual Site OPLS Force Field for Imidazolium-Based Ionic Liquids Doherty B, Zhong X, Acevedo O Journal of Physical Chemistry B, 122(11), 2962, 2018 |
| 2 |
Examining Ionic Liquid Effects on Mononuclear Rearrangement of Heterocycles Using QM/MM Simulations Allen C, Ghebreab R, Doherty B, Li B, Acevedo O Journal of Physical Chemistry B, 120(41), 10786, 2016 |
| 3 |
Benchmarking Continuum Solvent Models for Keto Enol Tautomerizations McCann BW, McFarland S, Acevedo O Journal of Physical Chemistry A, 119(32), 8724, 2015 |
| 4 |
Simulating Chemical Reactions in Ionic Liquids Using QM/MM Methodology Acevedo O Journal of Physical Chemistry A, 118(50), 11653, 2014 |
| 5 |
Exploring the Aldol Reaction using Catalytic Antibodies and "On Water" Organocatalysts from QM/MM Calculations Armacost K, Acevedo O Journal of the American Chemical Society, 136(1), 147, 2014 |
| 6 |
An Ionic Liquid Dependent Mechanism for Base Catalyzed beta-Elimination Reactions from QM/MM Simulations Allen C, Sambasivarao SV, Acevedo O Journal of the American Chemical Society, 135(3), 1065, 2013 |
| 7 |
Inter- and Intramolecular Mechanisms for Chlorine Rearrangements in Trimethyl-Substituted N-Chlorohydantoins McCann BW, Song H, Kocer HB, Cerkez I, Acevedo O, Worley SD Journal of Physical Chemistry A, 116(26), 7245, 2012 |
| 8 |
Electronic and Vibrational Signatures of the Au-102(p-MBA)(44) Cluster Hulkko E, Lopez-Acevedo O, Koivisto J, Levi-Kalisman Y, Kornberg RD, Pettersson M, Hakkinen H Journal of the American Chemical Society, 133(11), 3752, 2011 |
| 9 |
Effect of Phenyl Derivatization on the Stabilities of Antimicrobial N-Chlorohydantoin Derivatives Kocer HB, Worley SD, Broughton RM, Acevedo O, Huang TS Industrial & Engineering Chemistry Research, 49(22), 11188, 2010 |
| 10 |
Exploring Solvent Effects upon the Menshutkin Reaction Using a Polarizable Force Field Acevedo O, Jorgensen WL Journal of Physical Chemistry B, 114(25), 8425, 2010 |