Upakarasamy Lourderaj

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Srirangam AddepalliRGM Advisors, Texas Tech UniversityVerified email at drwholdings.com
Sebastian TrippelTeam Leader, Center for Free-Electron Laser Science (CFEL)Verified email at cfel.de
Matthias WeidemüllerPhysics Institute, Heidelberg UniversityVerified email at uni-heidelberg.de
Komal YadavUniversity of Hawaii ManoaVerified email at hawaii.edu
Kousik GiriCentre for Computational SciencesVerified email at cup.ac.in
Yu ZhuangTexas Tech UniversityVerified email at ttu.edu
Rui SunThe University of HawaiiVerified email at hawaii.edu
Venkatasubbaiah KrishnanAssociate Professor, NISER-BhubaneswarVerified email at niser.ac.in
Bert de JongLawrence Berkeley National LaboratoryVerified email at lbl.gov
Emilio Martinez-NunezProfessor of Physical ChemistryVerified email at usc.gal
Manikandan ParanjothyIndian Institute of Technology JodhpurVerified email at iitj.ac.in
George L. BarnesIllinois State UniversityVerified email at ilstu.edu
Swapnil KohaleSenior Research Associate, Texas Tech UniversityVerified email at ttu.edu
U. Deva PriyakumarProfessor, IIIT HyderabadVerified email at iiit.ac.in
Prasenjit MalAssociate Professor, School of Chemical SciencesVerified email at niser.ac.in
Ramesh MamidalaSenior Scientist at CambrexVerified email at cambrex.com
Jason McAfeeDepartment of Chemistry, University of North TexasVerified email at unt.edu
Khatuna KakhianiHLRS, Universität StuttgartVerified email at hlrs.de
Prathyusha. VAssistant Professor, Sri Sathya Sai Institute of Higher LearningVerified email at sssihl.edu.in
Rojisha VCAssistant ProfessorVerified email at geckkd.ac.in

Upakarasamy Lourderaj

National Institute of Science Education and Research Bhubaneswar

Verified email at niser.ac.in - Homepage

Theoretical and Computational Chemistry


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Imaging nucleophilic substitution dynamics J Mikosch, S Trippel, C Eichhorn, R Otto, U Lourderaj, JX Zhang, ... Science 319 (5860), 183-186, 2008	363	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	163	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	152	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	107	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	61	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	36	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	17	2022

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