1[期刊论文]

Can reactions follow non-traditional second-order saddle pathways avoiding transition states?

作者：Renuka Pradhan ;Upakarasamy Lourderaj

来源：Phys. Chem. Chem. Phys.. 2019 ;21(24):12837-12842.doi:10.1039/C9CP02431J

出版社：Royal Society of Chemistry (RSC)

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2[期刊论文]

Quantum chemical investigation of the thermal denitrogenation of 1-pyrazoline

作者：Renuka Pradhan ;Upakarasamy Lourderaj

来源：Phys. Chem. Chem. Phys.. 2017 ;19(40):27468-27477.doi:10.1039/C7CP05320G

出版社：Royal Society of Chemistry (RSC)

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3[期刊论文]

Modeling the formaldehyde–graphene interaction using a formaldehyde–pyrene system

作者：Leela S. Dodda ;Upakarasamy Lourderaj

来源：Phys. Chem. Chem. Phys.. 2013 ;15(40):17479.doi:10.1039/c3cp52388h

出版社：Royal Society of Chemistry (RSC)

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4[期刊论文]

Theoretical and Computational Studies of Non-RRKM Unimolecular Dynamics

作者：Upakarasamy Lourderaj ;William L. Hase

来源：The Journal of Physical Chemistry A. 2009 ;113(11):2236-2253.doi:10.1021/jp806659f

出版社：American Chemical Society

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5[期刊论文]

Dynamics of a gas-phase SNAr reaction: non-concerted mechanism despite the Meisenheimer complex being a transition state

作者：Nishant Sharma ;Rupayan Biswas ;Upakarasamy Lourderaj

来源：Phys. Chem. Chem. Phys.. 2020 ;22(45):26562-26567.doi:10.1039/D0CP05567K

出版社：Royal Society of Chemistry (RSC)

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6[期刊论文]

Artificial neural networks and their utility in fitting potential energy curves and surfaces and related problems

作者：Rupayan Biswas ;Upakarasamy Lourderaj ;Narayanasami Sathyamurthy

来源：Journal of Chemical Sciences. 2023 ;135(2):1-11.doi:10.1007/s12039-023-02136-7

出版社：Springer Nature

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7[期刊论文]

Theoretical investigation of the isomerization pathways of diazenes: torsion vs. inversion

作者：Aarti Sindhu ;Renuka Pradhan ;Upakarasamy Lourderaj 等

来源：Phys. Chem. Chem. Phys.. 2019 ;21(28):15678-15685.doi:10.1039/C8CP05953E

出版社：Royal Society of Chemistry (RSC)

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8[期刊论文]

Potential energy surface and unimolecular dynamics of stretched n-butane

作者：Upakarasamy Lourderaj ;Jason L. McAfee ;William L. Hase

来源：The Journal of Chemical Physics. 2008 ;129(9):094701.doi:10.1063/1.2969898

出版社：AIP Publishing

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9[期刊论文]

Mechanisms and dynamics of protonation and lithiation of ferrocene

作者：Nishant Sharma ;Jayanth K. Ajay ;Krishnan Venkatasubbaiah 等

来源：Phys. Chem. Chem. Phys.. 2015 ;17(34):22204-22209.doi:10.1039/C5CP03735B

出版社：Royal Society of Chemistry (RSC)

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10[期刊论文]

Mechanism and dynamics of CH2NO2− + CCl4 halophilic reaction

作者：Sayoni Mitra ;Siddharth Sankar Dutta ;Nishant Sharma 等

来源：International Journal of Mass Spectrometry. 2021 ;459:116470.doi:10.1016/j.ijms.2020.116470

出版社：Elsevier BV

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