Imaging nucleophilic substitution dynamics J Mikosch, S Trippel, C Eichhorn, R Otto, U Lourderaj, JX Zhang, ... Science 319 (5860), 183-186, 2008 | 367 | 2008 |
Theoretical and computational studies of non-RRKM unimolecular dynamics U Lourderaj, WL Hase American Chemical Society, 2009 | 167 | 2009 |
Classical trajectory simulations of post-transition state dynamics U Lourderaj, K Park, WL Hase International Reviews in Physical Chemistry 27 (3), 361-403, 2008 | 164 | 2008 |
A Direct Dynamics Trajectory Study of F- + CH3OOH Reactive Collisions Reveals a Major Non-IRC Reaction Path JG López, G Vayner, U Lourderaj, SV Addepalli, S Kato, WA DeJong, ... Journal of the American Chemical Society 129 (32), 9976-9985, 2007 | 153 | 2007 |
The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory U Lourderaj, R Sun, SC Kohale, GL Barnes, WA De Jong, TL Windus, ... Computer Physics Communications 185 (3), 1074-1080, 2014 | 108 | 2014 |
Simulation studies of the Cl−+ CH3I SN2 nucleophilic substitution reaction: comparison with ion imaging experiments J Zhang, U Lourderaj, R Sun, J Mikosch, R Wester, WL Hase The Journal of chemical physics 138 (11), 2013 | 62 | 2013 |
Direct dynamics simulations using Hessian-based predictor-corrector integration algorithms U Lourderaj, K Song, TL Windus, Y Zhuang, WL Hase The Journal of chemical physics 126 (4), 2007 | 61 | 2007 |
Isolation and characterization of regioisomers of pyrazole-based palladacycles and their use in α-alkylation of ketones using alcohols R Mamidala, S Samser, N Sharma, U Lourderaj, K Venkatasubbaiah Organometallics 36 (17), 3343-3351, 2017 | 57 | 2017 |
Cyclohexane isomerization. unimolecular dynamics of the twist-boat intermediate K Kakhiani, U Lourderaj, W Hu, D Birney, WL Hase The Journal of Physical Chemistry A 113 (16), 4570-4580, 2009 | 43 | 2009 |
Potential energy surface and unimolecular dynamics of stretched n-butane U Lourderaj, JL McAfee, WL Hase The Journal of chemical physics 129 (9), 2008 | 43 | 2008 |
Theoretical investigation of mechanisms for the gas-phase unimolecular decomposition of DMMP L Yang, RM Shroll, J Zhang, U Lourderaj, WL Hase The Journal of Physical Chemistry A 113 (49), 13762-13771, 2009 | 39 | 2009 |
Chemical dynamics simulations of energy transfer in collisions of protonated peptide− ions with a perfluorinated alkylthiol self-assembled monolayer surface L Yang, OA Mazyar, U Lourderaj, J Wang, MT Rodgers, E Martínez-Núñez, ... The Journal of Physical Chemistry C 112 (25), 9377-9386, 2008 | 39 | 2008 |
Kinematically complete chemical reaction dynamics S Trippel, M Stei, R Otto, P Hlavenka, J Mikosch, C Eichhorn, U Lourderaj, ... Journal of Physics: Conference Series 194 (1), 012046, 2009 | 37 | 2009 |
Quantum Chemical Calculations of the Cl− + CH3I → CH3Cl + I− Potential Energy Surface J Zhang, U Lourderaj, SV Addepalli, WA De Jong, WL Hase The Journal of Physical Chemistry A 113 (10), 1976-1984, 2009 | 34 | 2009 |
Parveen; Venugopalan, P.; Moorthy, NJ; Sathyamurthy, N. Conformational control and photoenolization of pyridine-3-carboxaldehydes in the solid state: Stabilization of … P Mal, U Lourderaj J. Org. Chem 68, 3446-3453, 2003 | 30 | 2003 |
Ground and excited states of the monomer and dimer of certain carboxylic acids U Lourderaj, K Giri, N Sathyamurthy The Journal of Physical Chemistry A 110 (8), 2709-2717, 2006 | 29 | 2006 |
Mechanisms and dynamics of protonation and lithiation of ferrocene N Sharma, JK Ajay, K Venkatasubbaiah, U Lourderaj Physical Chemistry Chemical Physics 17 (34), 22204-22209, 2015 | 22 | 2015 |
Can reactions follow non-traditional second-order saddle pathways avoiding transition states? R Pradhan, U Lourderaj Physical Chemistry Chemical Physics 21 (24), 12837-12842, 2019 | 20 | 2019 |
Determination of stability and degradation in polysilanes by an electronic mechanism A Sharma, U Lourderaj, Deepak, N Sathyamurthy The Journal of Physical Chemistry B 109 (33), 15860-15867, 2005 | 19* | 2005 |
Palladium-catalyzed selective C–C bond cleavage and stereoselective alkenylation between cyclopropanol and 1, 3-diyne: one-step synthesis of diverse conjugated enynes BV Pati, A Ghosh, K Yadav, SK Banjare, S Pandey, U Lourderaj, ... Chemical Science 13 (9), 2692-2700, 2022 | 18 | 2022 |