Sumathi Raman : rechercher sur Z-Library

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1

Theoretical Investigation of Some High-Performance Novel Amine Azide Propellants

Debasis Sengupta, Sumathi Raman

Journal:

Propellants, Explosives, Pyrotechnics

Année:

2007

Langue:

english

Fichier:

PDF, 650 KB

english, 2007

2

Modifiable risk factors, cardiovascular disease, and mortality in 155 722 individuals from 21 high-income, middle-income, and low-income countries (PURE): a prospective cohort study

Yusuf, Salim, Joseph, Philip, Rangarajan, Sumathy, Islam, Shofiqul, Mente, Andrew, Hystad, Perry, Brauer, Michael, Kutty, Vellappillil Raman, Gupta, Rajeev, Wielgosz, Andreas, AlHabib, Khalid F, Dans,

Journal:

Lancet (London, England)

Année:

2019

Langue:

english

Fichier:

PDF, 675 KB

english, 2019

3

Atomistic Adsorption of Oxygen and Hydrogen on Platinum Catalysts by Hybrid Grand Canonical Monte Carlo/Reactive Molecular Dynamics

Gai, Lili, Shin, Yun Kyung, Raju, Muralikrishna, van Duin, Adri C. T., Raman, Sumathy

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 5.48 MB

english, 2016

4

Pyrolysis of methane via thermal steam plasma for the production of hydrogen and carbon black

MaÅ¡lÃ¡ni, Alan, HrabovskÃ½, Milan, KÅenek, Petr, HlÃna, Michal, Raman, Sumathy, Sikarwar, Vineet Singh, JeremiÃ¡Å¡, Michal

Journal:

International Journal of Hydrogen Energy

Année:

2020

Fichier:

PDF, 424 KB

2020

5

Intramolecular Hydrogen Migration in Alkylperoxy and Hydroperoxyalkylperoxy Radicals: Accurate Treatment of Hindered Rotors

Sharma, Sandeep, Raman, Sumathy, Green, William H.

Journal:

Journal of Physical Chemistry A

Année:

2010

Langue:

english

Fichier:

PDF, 645 KB

english, 2010

6

Development of a ReaxFF Reactive Force Field for the Pt−Ni Alloy Catalyst

Shin, Yun Kyung, Gai, Lili, Raman, Sumathy, van Duin, Adri C.T.

Journal:

Journal of Physical Chemistry A

Année:

2016

Langue:

english

Fichier:

PDF, 2.99 MB

english, 2016

7

Thermodynamic calculations for molecules with asymmetric internal rotors—application to 1,3-butadiene

Bryan M. Wong, Sumathy Raman

Journal:

Journal of Computational Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 337 KB

english, 2007

8

Thermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2-dihaloethanes

Bryan M. Wong, Maria M. Fadri, Sumathy Raman

Journal:

Journal of Computational Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 277 KB

english, 2008

9

Molecular steps for the syngas conversion on the Rh6 cluster

Sharan Shetty, Rutger A. van Santen, Paul A. Stevens, Sumathy Raman

Journal:

Journal of Molecular Catalysis A: Chemical

Année:

2010

Langue:

english

Fichier:

PDF, 970 KB

english, 2010

10

Unimolecular decomposition of the isomers of [HNO2]+ and [HNO2]− systems: a DFT study

Debasis Sengupta, Raman Sumathi, S.D. Peyerimhoff

Journal:

Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 389 KB

english, 1999

11

The use of dynamic adaptive chemistry in combustion simulation of gasoline surrogate fuels

Long Liang, John G. Stevens, Sumathy Raman, John T. Farrell

Journal:

Combustion and Flame

Année:

2009

Langue:

english

Fichier:

PDF, 1.06 MB

english, 2009

12

Theoretical analysis of reactions related to the HNO2 energy surface: OH + NO and H + NO2

Minh Tho Nguyen, Raman Sumathi, Debasis Sengupta, Jozef Peeters

Journal:

Chemical Physics

Année:

1998

Langue:

english

Fichier:

PDF, 275 KB

english, 1998

13

Tree structure for intermolecular hydrogen abstraction from hydrocarbons (C/H) and generic rate constant rules for abstraction by vinyl radical

Sumathy Raman, Hans-Heinrich Carstensen

Journal:

International Journal of Chemical Kinetics

Année:

2012

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2012

14

ChemInform Abstract: Quantum Calculations of Important Isomerization Reaction Rates

Sandeep Sharma, Sumathy Raman, William H. Green

Journal:

Année:

2012

Fichier:

PDF, 18 KB

2012

15

A non-active site mutation in human hypoxanthine guanine phosphoribosyltransferase expands substrate specificity

Jayalakshmi Raman, K. Sumathy, Ranjith P. Anand, Hemalatha Balaram

Journal:

Archives of Biochemistry and Biophysics

Année:

2004

Langue:

english

Fichier:

PDF, 300 KB

english, 2004

16

Use of secondary prevention drugs for cardiovascular disease in the community in high-income, middle-income, and low-income countries (the PURE Study): a prospective epidemiological survey

Salim Yusuf, Shofiqul Islam, Clara K Chow, Sumathy Rangarajan, Gilles Dagenais, Rafael Diaz, Rajeev Gupta, Roya Kelishadi, Romaina Iqbal, Alvaro Avezum, Annamarie Kruger, Raman Kutty, Fernando Lanas,

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 402 KB

english, 2011

17

Accurate and Efficient Method for Predicting Thermochemistry of Polycyclic Aromatic Hydrocarbons − Bond-Centered Group Additivity

Yu, Joanna, Sumathi, Raman, Green, William H.

Journal:

Journal of the American Chemical Society

Année:

2004

Langue:

english

Fichier:

PDF, 256 KB

english, 2004

18

Connectivity-Based Parallel Replica Dynamics for Chemically Reactive Systems: From Femtoseconds to Microseconds

Joshi, Kaushik L., Raman, Sumathy, van Duin, Adri C. T.

Journal:

The Journal of Physical Chemistry Letters

Année:

2013

Langue:

english

Fichier:

PDF, 852 KB

english, 2013

19

Detailed Kinetic Study of the Growth of Small Polycyclic Aromatic Hydrocarbons. 1. 1-Naphthyl + Ethyne †

Richter, Henning, Mazyar, Oleg A., Sumathi, Raman, Green, William H., Howard, Jack B., Bozzelli, Joseph W.

Journal:

Journal of Physical Chemistry A

Année:

2001

Langue:

english

Fichier:

PDF, 209 KB

english, 2001

20

Oxidation of Hydroxylamine by Nitrous and Nitric Acids. Model Development from First Principle SCRF Calculations

Raman, Sumathy, Ashcraft, Robert W., Vial, Marc, Klasky, Marc L.

Journal:

Journal of Physical Chemistry A

Année:

2005

Langue:

english

Fichier:

PDF, 358 KB

english, 2005

21

Large-Scale Reactive Molecular Dynamics Simulation and Kinetic Modeling of High-Temperature Pyrolysis of the Gloeocapsomorphaprisca Microfossils

Zou, Chenyu, Raman, Sumathy, van Duin, Adri C.T.

Journal:

Journal of Physical Chemistry B

Année:

2014

Langue:

english

Fichier:

PDF, 4.82 MB

english, 2014

22

Reaction Rate Predictions Via Group Additivity. Part 3: Effect of Substituents with CH 2 as the Mediator

Sumathi, Raman, Carstensen, Hans-Heinrich, Green, William H.

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 185 KB

english, 2002

23

Mechanism and Kinetics of the Reaction of Acetylene and Nitric Oxide

Nguyen, Hue Minh Thi, Sumathi, Raman, Nguyen, Minh Tho

Journal:

Journal of Physical Chemistry A

Année:

1999

Langue:

english

Fichier:

PDF, 173 KB

english, 1999

24

Thermodynamic Properties of Ketenes: Group Additivity Values from Quantum Chemical Calculations

Sumathi, Raman, Green, William H.

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 186 KB

english, 2002

25

Ab Initio Aqueous Thermochemistry: Application to the Oxidation of Hydroxylamine in Nitric Acid Solution

Ashcraft, Robert W., Raman, Sumathy, Green, William H.

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 247 KB

english, 2007

26

Theoretical Studies on the CH 3 CO + Cl Reaction: Hydrogen Abstraction versus CO Displacement

Sumathi, Raman, Nguyen, Minh Tho

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 95 KB

english, 1998

27

Density Functional Characterization of [HClO 2 ] Potential Energy Surface

Sumathi, Raman, Peyerimhoff, S. D.

Journal:

Journal of Physical Chemistry A

Année:

1999

Langue:

english

Fichier:

PDF, 79 KB

english, 1999

28

Predicted Reaction Rates of H x N y O z Intermediates in the Oxidation of Hydroxylamine by Aqueous Nitric Acid

Ashcraft, Robert W., Raman, Sumathy, Green, William H.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 282 KB

english, 2008

29

Theoretical Study of the H 2 + NO and Related Reactions of [H 2 NO] Isomers

Sumathi, Raman, Sengupta, Debasis, Nguyen, Minh Tho

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 178 KB

english, 1998

30

Thermodynamic Properties and Kinetic Parameters for Cyclic Ether Formation from Hydroperoxyalkyl Radicals

Wijaya, Catherina D., Sumathi, Raman, Green, William H.

Journal:

Journal of Physical Chemistry A

Année:

2003

Langue:

english

Fichier:

PDF, 158 KB

english, 2003

31

Missing Thermochemical Groups for Large Unsaturated Hydrocarbons: Contrasting Predictions of G2 and CBS-Q

Sumathi, Raman, Green, William H.

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 75 KB

english, 2002

32

Accurate and Efficient Method for Predicting Thermochemistry of Furans and o rtho -Arynes: Expansion of the Bond-Centered Group Additivity Method †

Yu, Joanna, Sumathi, Raman, Green, William H.

Journal:

Journal of Physical Chemistry A

Année:

2006

Langue:

english

Fichier:

PDF, 106 KB

english, 2006

33

Density Functional Study on the Structures and Energies of the Ti 2 C 3 Cluster

Sumathi, Raman, Hendrickx, Marc

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 112 KB

english, 1998

34

Multiprotonation of Benzene: A Theoretical Study

Sumathy, Raman, Kryachko, Eugene S.

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 162 KB

english, 2002

35

A Theoretical Study of the CH 2 N System: Reactions in both Lowest Lying Doublet and Quartet States

Sumathi, Raman, Nguyen, Minh Tho

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 157 KB

english, 1998

36

Electronic Structure Calculations on the Reaction of Vinyl Radical with Nitric Oxide

Sumathi, Raman, Nguyen, Hue Minh Thi, Nguyen, Minh Tho, Peeters, Jozef

Journal:

Journal of Physical Chemistry A

Année:

2000

Langue:

english

Fichier:

PDF, 454 KB

english, 2000

37

Rearrangement and Fragmentation Processes on the Potential Energy Surfaces of the (CH n S) + ( n = 1−4) Systems

Sumathi, Raman, Peyerimhoff, S. D., Sengupta, Debasis

Journal:

Journal of Physical Chemistry A

Année:

1999

Langue:

english

Fichier:

PDF, 157 KB

english, 1999

38

Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite

Joshi, Kaushik L., Psofogiannakis, George, van Duin, Adri C. T., Raman, Sumathy

Journal:

Physical Chemistry Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 3.14 MB

english, 2014

39

Ab initio modeling of organophosphorus combustion chemistryElectronic supplementary information (ESI) available: Optimized geometric parameters for transition states. See http://www.rsc.org/suppdata/cp/b4/b402742f/

Sullivan, Patricia A., Sumathi, Raman, Green, William H., Tester, Jefferson W.

Journal:

Physical Chemistry Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 1.14 MB

english, 2004

40

Potential energy surface for unimolecular dissociations and rearrangements of the ground state of [C2H3FO] systems

Thanh Nguyen, Lam, Sumathi, Raman, Tho Nguyen, Minh

Journal:

Physical Chemistry Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 391 KB

english, 1999

41

Pathways for HCl formation in HO+ClO reaction

Sumathi, Raman, Peyerimhoff, S. D.

Journal:

Physical Chemistry Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 97 KB

english, 1999

42

Density functional studies on HO+BrO and HO2+Br reactions

Sumathi, Raman, D. Peyerimhoff, S.

Journal:

Physical Chemistry Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 164 KB

english, 1999

43

Mechanism of ?-cleavage in the excited states of keto sulfides

Sumathi, Raman, Chandra, Asish K.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Année:

1992

Langue:

english

Fichier:

PDF, 477 KB

english, 1992

44

Rotational dynamics of coumarins: An experimental test of dielectric friction theories

Dutt, G. B., Raman, Sumathi

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 382 KB

english, 2001

45

Rotational dynamics of coumarins in nonassociative solvents: Point dipole versus extended charge distribution models of dielectric friction

Dutt, G. B., Krishna, G. Rama, Raman, Sumathi

Journal:

The Journal of Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 352 KB

english, 2001

46

Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method

Xu, Zhongnan, Joshi, Yogesh V., Raman, Sumathy, Kitchin, John R.

Journal:

The Journal of Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 501 KB

english, 2015

47

Interaction of Hydrogen with the Iron and Iron Carbide Interfaces: A ReaxFF Molecular Dynamics Study

Islam, Md Mahbubul, Zou, Chenyu, van Duin, Adri C. T., Raman, Sumathy

Journal:

Physical Chemistry Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 3.18 MB

english, 2015

48

Reference ranges of handgrip strength from 125,462 healthy adults in 21 countries: a prospective urban rural epidemiologic (PURE) study

Leong, Darryl P., Teo, Koon K., Rangarajan, Sumathy, Kutty, V. Raman, Lanas, Fernando, Hui, Chen, Quanyong, Xiang, Zhenzhen, Qian, Jinhua, Tang, Noorhassim, Ismail, AlHabib, Khalid F, Moss, Sarah J.,

Journal:

Journal of Cachexia, Sarcopenia and Muscle

Année:

2016

Langue:

english

Fichier:

PDF, 248 KB

english, 2016

49

Heterogeneous Catalytic Oxidation of Amides to Imides by Manganese Oxides

Biswas, Sourav, Khanna, Harshul S., Nizami, Quddus A., Caldwell, Donald R., Cavanaugh, Katherine T., Howell, Amy R., Raman, Sumathy, Suib, Steven L., Nandi, Partha

Journal:

Scientific Reports

Année:

2018

Langue:

english

Fichier:

PDF, 1.66 MB

english, 2018

50

Lithium promoted mesoporous manganese oxide catalyzed oxidation of allyl ethers

Dutta, Biswanath, Clarke, Ryan, Raman, Sumathy, Shaffer, Timothy D., Achola, Laura, Nandi, Partha, Suib, Steven L.

Journal:

Nature Communications

Année:

2019

Fichier:

PDF, 593 KB

2019