Search Results - "Rao, Pradeep Kumar"

Kinetics and Mechanistic Investigations of Atmospheric Oxidation of HFO-1345fz by OH Radical: Insights from Theory by Rao, Pradeep Kumar, Gejji, Shridhar P.

“…HFO-1345fz (CF3CF2CHCH2 or 3,3,4,4,4-pentafluoro-1-butene) belongs to a class of hydrofluoro-olefins and represents a new generation of potential foam…”
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Atmospheric degradation of HCFO-1233zd(E) initiated by OH radical, Cl atom and O3 molecule: Kinetics, reaction mechanisms and implications by Rao, Pradeep Kumar, Gejji, Shridhar P.

“…[Display omitted] •Atmospheric oxidation of HCFO-1233zd(E) by OH, Cl, and O3 are analyzed.•Addition as well as abstraction reaction channels have been…”
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Atmospheric degradation of HCFO-1233zd(E) initiated by OH radical, Cl atom and O^sub 3^ molecule: Kinetics, reaction mechanisms and implications by Rao, Pradeep Kumar, Gejji, Shridhar P

“…A degradation of trans-CF3CH=CHCl (HCFO-1233zd(E)) by reaction with OH radical, Cl atom and O3 molecule over the temperature range 200–1000 K has been studied…”
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Understanding the Atmospheric Oxidation of HFE-7500 (C3F7CF(OC2H5)CF(CF3)2) Initiated by Cl Atom and NO3 Radical from Theory by Rao, Pradeep Kumar, Deka, Ramesh Ch, Gour, Nand Kishor, Gejji, Shridhar P

“…Kinetics and mechanistic pathways for atmospheric oxidation of HFE-7500 (n-C3F7CF­(OCH2CH3)­CF­(CF3)2) initiated by Cl atom and NO3 radical have been studied…”
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Molecular insights for the HFO-1345fz +X (X=Cl, O3 or NO3) reaction and fate of alkoxy radicals initiated by Cl: DFT investigations by Rao, Pradeep Kumar, Gejji, Shridhar P.

“…[Display omitted] •Kinetics and atmospheric decomposition of HFO-1345fz by Cl, O3 and NO3 are analyzed.•Addition as well as abstraction reaction channels are…”
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Understanding the Atmospheric Oxidation of HFE-7500 (C 3 F 7 CF(OC 2 H 5 )CF(CF 3 ) 2 ) Initiated by Cl Atom and NO 3 Radical from Theory by Rao, Pradeep Kumar, Deka, Ramesh Ch, Gour, Nand Kishor, Gejji, Shridhar P

“…Kinetics and mechanistic pathways for atmospheric oxidation of HFE-7500 ( n-C F CF(OCH CH )CF(CF ) ) initiated by Cl atom and NO radical have been studied…”
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Computational study on the kinetics of OH initiated oxidation of methyl difluoroacetate (CF2HCOOCH3) by Singh, Hari Ji, Tiwari, Laxmi, Rao, Pradeep Kumar

“…The kinetics of hydrogen atom abstraction reactions of methyl difluoroacetate (CF 2 HCOOCH 3 ) by OH radical has been studied by quantum mechanical method. The…”
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Kinetics and mechanism of gas-phase reaction of C[F.sub.3]OC[H.sub.2]C[H.sub.3] with the oh radical--a theoretical study by Rao, Pradeep Kumar, Singh, Hari Ji

“…In the present study, the density functional method with recently developed M06 functionals has been used to study the reaction of…”
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Kinetics and mechanism of gas-phase reaction of CF 3 OCH 2 CH 3 (HFE-263) with the OH radical — a theoretical study by Rao, Pradeep Kumar, Singh, Hari Ji

“…In the present study, the density functional method with recently developed M06 functionals has been used to study the reaction of CF 3 OCH 2 CH 3 with the OH…”
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Kinetics and mechanism of gas-phase reaction of CF^sub 3^OCH^sub 2^CH^sub 3^ (HFE-263) with the OH radica - a theoretical study by Rao, Pradeep Kumar, Singh, Hari Ji

“…In the present study, the density functional method with recently developed M06 functionals has been used to study the reaction of CF...OCH...CH... with the OH…”
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Kinetics and mechanism of gas-phase reaction of CF3OCH2CH3 (HFE-263) with the OH radical — a theoretical study by Rao, Pradeep Kumar, Singh, Hari Ji

“…In the present study, the density functional method with recently developed M06 functionals has been used to study the reaction of CF 3 OCH 2 CH 3 with the OH…”
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Computational study on the kinetics of OH initiated oxidation of methyl difluoroacetate (CF sub(2)HCOOCH sub(3)) by Singh, Hari Ji, Tiwari, Laxmi, Rao, Pradeep Kumar

“…The kinetics of hydrogen atom abstraction reactions of methyl difluoroacetate (CF sub(2)HCOOCH sub(3)) by OH radical has been studied by quantum mechanical…”
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Theoretical studies on OH and Cl initiated hydrogen atom abstraction of HFE-227pc (CF3OCF2CHF2) by Singh, Hari Ji, Rao, Pradeep Kumar, Tiwari, Laxmi

“…The kinetics of hydrogen atom abstraction reactions of HFE-227pc by OH and Cl was studied by ab initio method. The structural optimization and frequency…”
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Theoretical investigation on the kinetics and branching ratio of the gas phase reaction of sevoflurane with Cl atom by Singh, Hari Ji, Gour, Nand Kishor, Rao, Pradeep Kumar, Tiwari, Laxmi

“…The present work deals with the theoretical investigation on the Cl initiated H-atom abstraction reaction of sevoflurane, (CF 3 ) 2 CHOCH 2 F. A dual-level…”
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Theoretical studies on OH and Cl initiated hydrogen atom abstraction of HFE-227pc (CF sub(3)OCF sub(2)CHF sub(2)) by Singh, Hari Ji, Rao, Pradeep Kumar, Tiwari, Laxmi

“…The kinetics of hydrogen atom abstraction reactions of HFE-227pc by OH and Cl was studied by ab initio method. The structural optimization and frequency…”
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Computational study on the thermal decomposition and isomerization of the CH 3 OCF 2 O • radical by Singh, Hari Ji, Mishra, Bhupesh Kumar, Rao, Pradeep Kumar

“…The geometries of the reactant, products, and transition states involved in the decomposition pathways of the CH 3 OCF 2 O • radical formed during the…”
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Computational study on the thermal decomposition and isomerization of the C[H.sub.3]OC[F.sub.2][O.sup.] radical by Singh, Hari Ji, Mishra, Bhupesh Kumar, Rao, Pradeep Kumar

“…The geometries of the reactant, products, and transition states involved in the decomposition pathways of the C[H.sub.3]OC[F.sub.2][O.sup.*] radical formed…”
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Computational study on the thermal decomposition and isomerization of the CH^sub 3^OCF^sub 2^O radical by Singh, Hari Ji, Mishra, Bhupesh Kumar, Rao, Pradeep Kumar

“…The geometries of the reactant, products, and transition states involved in the decomposition pathways of the ...- radical formed during the photooxidation of…”
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Value of multi-disciplinary input into laparoscopic management of rectal cancer-An observational study by Dhruva Rao, Pawan Kumar, Peiris, Sooriyaratchige Pradeep Manjula, Arif, Seema Safia, Davies, Rhodri A, Masoud, Ashraf Gergies, Haray, Puthucode Narayanan

“…AIM To assess the impact of multi-disciplinary teams(MDTs)management in optimising the outcome for rectal cancers.METHODS We undertook a retrospective review…”
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