Results 31 to 40 of about 43,577 (345)

Experimental and modeling study of the autoignition of 1-hexene/iso-octane mixtures at low temperatures [PDF]

, 2005
Autoignition delay times have been measured in a rapid compression machine at Lille at temperatures after compression from 630 to 840 K, pressures from 8 to 14 bar, \Phi = 1 and for a iso octane/1 hexene mixture containing 82% iso-octane and 18% 1 hexene.
Barbé, Battin-Leclerc, Benson, Buda, Callahan, Ciajolo, Clarkson, Curran, Curran, F. Battin-Leclerc, Fieweger, G. Vanhove, Glaude, Glaude, Gray, Heyberger, Heyberger, Klotz, Lee, Minetti, Minetti, Minetti, Minetti, Muller, P.A. Glaude, R. Fournet, R. Minetti, S. Touchard, Stark, Touchard, Vanhove, Warth, Westbrook, Yahyaoui   +33 more
core   +3 more sources

Acceptorless cross-dehydrogenative coupling for C(sp3)-H heteroarylation mediated by a heterogeneous GaN/ketone photocatalyst/photosensitizer system

Communications Chemistry, 2023
Alkanes are naturally abundant chemical building blocks that contain plentiful C(sp 3)-H bonds. While inert, the activation of C(sp 3)-H via hydrogen atom abstraction (HAT) stages an appealing approach to generate alkyl radicals.
Hyotaik Kang, Lida Tan, Jing-Tan Han, Chia-Yu Huang, Hui Su, Aleksei Kavun, Chao-Jun Li   +6 more
doaj   +1 more source

An Ab Initio RRKM-Based Master Equation Study for Kinetics of OH-Initiated Oxidation of 2-Methyltetrahydrofuran and Its Implications in Kinetic Modeling

Energies, 2023
Cyclic ethers (CEs) can be promising future biofuel candidates. Most CEs possess physico-chemical and combustion indicators comparable to conventional fuels, making them suitable for internal combustion engines. This work computationally investigates the
Tam V.-T. Mai, Thanh Q. Bui, Nguyen Thi Ai Nhung, Phan Tu Quy, Krishna Prasad Shrestha, Fabian Mauss, Binod Raj Giri, Lam K. Huynh   +7 more
doaj   +1 more source

Enzymatic functionalization of carbon-hydrogen bonds [PDF]

, 2011
The development of new catalytic methods to functionalize carbon–hydrogen (C–H) bonds continues to progress at a rapid pace due to the significant economic and environmental benefits of these transformations over traditional synthetic methods.
Arnold, Frances H., Coelho, Pedro S., Lewis, Jared C.   +2 more
core   +1 more source

Grain Surface Models and Data for Astrochemistry [PDF]

, 2017
The cross-disciplinary field of astrochemistry exists to understand the formation, destruction, and survival of molecules in astrophysical environments. Molecules in space are synthesized via a large variety of gas-phase reactions, and reactions on dust ...
A. Al-Halabi, A. Al-Halabi, A. Al-Halabi, A. Bacmann, A. Belloche, A. Belloche, A. Dalgarno, A. Dutrey, A. Leger, A. Lipshtat, A. McKellar, A. Nagaoka, A. Nagaoka, A. Pedersen, A. Rimola, A. Stutz, A. Tielens, A. Wolff, A.A. Boogert, A.E. Douglas, A.G.G.M. Tielens, A.G.G.M. Tielens, A.G.G.M. Tielens, A.I. Vasyunin, A.I. Vasyunin, A.S. Bolina, A.S. Bolina, A.S. Bolina, A.S. Eddington, A.V. Ivlev, B. Lepetit, B.T. Draine, B.T. Draine, C. Arasa, C. Arasa, C. Arasa, C. Chyba, C. Eckart, C. Vastel, C. Walsh, C. Walsh, C.M. Leung, D. Field, D. Hollenbach, D. McElroy, D. Semenov, D. Semenov, D.A. Adriaens, D.E. Woon, D.H. Parker, D.J. Hollenbach, D.P. Ruffle, D.P. Ruffle, D.R. Bates, D.T. Gillespie, E. Anders, E. Congiu, E. Gonzalez-Lavado, E. Herbst, E. Herbst, E. Herbst, E. Herbst, E. Herbst, E. M. Penteado, E. Wigner, E.A. Bergin, E.C. Fayolle, E.C. Fayolle, E.C. Fayolle, E.F. Dishoeck van, E.F. Dishoeck van, E.K. Campbell, E.M. Penteado, E.R. Batista, F. Dulieu, F. Mispelaer, F.L. Schöier, G. Cooper, G. Fedoseev, G. Nyman, G.A. Cruz-Diaz, G.A. Cruz-Diaz, G.A. Cruz-Diaz, G.M. Muñoz Caro, G.W. Fuchs, G.W. Fuchs, H. Chaabouni, H. Hidaka, H. Hidaka, H. Hidaka, H. Linnartz, H. M. Cuppen, H.J. Fraser, H.J. Fraser, H.M. Cuppen, H.M. Cuppen, H.M. Cuppen, J. Bossa, J. Cami, J. Cernicharo, J. Fillion, J. Gonzalez, J. He, J. He, J. Kalvāns, J. Koning, J. Kästner, J. Zhen, J.A. Noble, J.A. Noble, J.A. Noble, J.B. Bergner, J.B. Bossa, J.E. Elsila, J.K. Jørgensen, J.M.C. Rawlings, J.R. Burke, K. Acharyya, K. Acharyya, K. Furuya, K. Furuya, K. Hiraoka, K. Hiraoka, K. Hiraoka, K. Hiraoka, K. Isokoski, K. Kuwahata, K. Kvenvolden, K. Willacy, K. Willacy, K.I. Öberg, K.I. Öberg, K.I. Öberg, K.I. Öberg, K.I. Öberg, K.I. Öberg, K.I. Öberg, K.I. Öberg, K.J. Chuang, K.M. Pontoppidan, K.M. Pontoppidan, L. Allamandola, L. Amiaud, L.B. D’Hendecourt, L.B. D’Hendecourt, L.B. D’Hendecourt, L.E. Snyder, L.J. Karssemeijer, L.J. Karssemeijer, L.J. Karssemeijer, L.J. Karssemeijer, L.T. Greenberg, M. Accolla, M. Agúndez, M. Allen, M. Bertin, M. Bertin, M. Bertin, M. Minissale, M. Minissale, M. Monge-Palacios, M. Monge-Palacios, M.B. Bell, M.C. Hemert van, M.P. Collings, M.P. Collings, M.P. Collings, M.S. Westley, M.S. Westley, N. Balucani, N. Katz, N. Lippok, N. Miyauchi, N. Nishi, N. Watanabe, N. Watanabe, N. Watanabe, N. Watanabe, N.F.W. Ligterink, N.G. Adams, N.J. Mason, N.J.B. Green, O. Berné, O. Biham, P. Caselli, P. Ehrenfreund, P. Swings, P. Theule, P.A. Gerakines, P.D. Brown, P.M. Woods, Q. Chang, Q. Chang, Q. Chang, Q. Chang, R. Garrod, R. Launhardt, R. T. Garrod, R.E. Weston, R.J. Gould, R.J.A. Grim, R.M. Logan, R.P. Bell, R.T. Garrod, R.T. Garrod, R.T. Garrod, R.T. Garrod, R.T. Garrod, R.T. Garrod, R.T. Garrod, S. Andersson, S. Andersson, S. Andersson, S. Andersson, S. Cazaux, S. Ioppolo, S. Ioppolo, S. Viti, S.A. Sandford, S.A. Sandford, S.A. Sandford, S.A. Sandford, S.B. Charnley, S.B. Charnley, S.D. Green, S.E. Bisschop, S.E. Bisschop, S.S. Prasad, T. Albertsson, T. Butscher, T. Grassi, T. Hama, T. Hama, T. Hama, T. Henning, T. Lamberts, T. Lamberts, T. Lamberts, T. Lamberts, T. Lamberts, T. Lamberts, T. Lauck, T. Stantcheva, T. Stantcheva, T.I. Hasegawa, T.I. Hasegawa, T.I. Hasegawa, T.J. Millar, T.J.H. Hele, T.L. Nguyen, T.L. Nguyen, T.L. Nguyen, T.L. Nguyen, T.P.M. Goumans, T.P.M. Goumans, T.P.M. Goumans, T.P.M. Goumans, T.W. Hartquist, V. Barone, V. Buch, V. Pirronello, V. Pirronello, V. Pirronello, V. Taquet, V. Taquet, V. Wakelam, V. Wakelam, V.K. Veeraghattam, W. Hagen, W.A. Brown, W.D. Geppert, W.D. Watson, W.D. Watson, W.D. Watson, Y. Aikawa, Y. Chen, Y. Li, Y. Oba, Y. Oba, Y. Oba, Y. Oba, Y. Oba, Y. Zhang, Y.V. Suleimanov, Z. Awad   +284 more
core   +6 more sources

Synthesis of a terminal Ce(iv) oxo complex by photolysis of a Ce(iii) nitrate complex. [PDF]

, 2017
Reaction of [Ce(NR2)3] (R = SiMe3) with LiNO3 in THF, in the presence of 2,2,2-cryptand, results in the formation of the Ce(iii) "ate" complex, [Li(2,2,2-cryptand)][Ce(κ2-O2NO)(NR2)3] (1) in 38% yield. Photolysis of 1 at 380 nm affords [Li(2,2,2-cryptand)
Assefa, Mikiyas K, Hayton, Trevor W, Wu, Guang   +2 more
core   +1 more source

Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of N-Dealkylation of N,N-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant FeIV(O)(N4Py)(ClO4)2

Frontiers in Chemistry, 2018
The oxidative C-H bond activation mediated by heme and nonheme enzymes and related biomimetics is one of the most interesting processes in bioinorganic and oxidative chemistry.
Lili Yang, Xin Chen, Zexing Qu, Jiali Gao, Jiali Gao   +4 more
doaj   +1 more source

Selective deuteration as a tool for resolving autoxidation mechanisms in α-pinene ozonolysis [PDF]

Atmospheric Chemistry and Physics, 2023
Highly oxygenated organic molecules (HOMs) from α-pinene ozonolysis have been shown to be significant contributors to secondary organic aerosol (SOA), yet our mechanistic understanding of how the peroxy-radical-driven autoxidation leads to their ...
M. Meder, O. Peräkylä, J. G. Varelas, J. Luo, R. Cai, Y. Zhang, Y. Zhang, T. Kurtén, T. Kurtén, M. Riva, M. Rissanen, M. Rissanen, F. M. Geiger, R. J. Thomson, M. Ehn   +14 more
doaj   +1 more source

Gas phase homolytic bond dissociation enthalpies of common laboratory solvents: A G4 theoretical study [PDF]

, 2010
Gas phase standard state (298.15 K, 1 atm) calculations were conducted at the Gaussian-4 (G4) composite method level of theory to estimate the bond dissociation enthalpies (BDEs) of various common laboratory solvents.
Kaya Forest, Sierra Rayne
core   +2 more sources

A high-resolution infrared spectroscopic investigation of the halogen atom-HCN entrance channel complexes solvated in superfluid helium droplets [PDF]

, 2006
Rotationally resolved infrared spectra are reported for the X-HCN (X = Cl, Br, I) binary complexes solvated in helium nanodroplets. These results are directly compared with that obtained previously for the corresponding X-HF complexes [J. M.
Balakrishnan, Boltnev, Boltnev, Boys, Brink, Brown, Brown, Cacace, Chase, Jr, Chen, Choi, Curtiss, de Juan, Decker, Deskevich, Douberly, Douberly, Draeger, Fishchuk, Fishchuk, Fishchuk, Frosh, Frost, Goldschleger, Gordon, Gordon, Gordon, Gordon, Harding, Harren, Heaven, Hinds, Hunt, Hunt, Hutson, Jaccarino, Jeremy M. Merritt, Jochen Küpper, Klos, Klos, Knuth, Kreher, Kreher, Küpper, Lefebvre-Brion, Legon, Legon, LeRoy, Lester, Madeja, Maierle, McInnis, Merritt, Merritt, Merritt, Merritt, Merritt, Metz, Meuwly, Meuwly, Misochko, Nauta, Nauta, Nauta, Nauta, Nauta, Nicklass, Peterson, Pfeiffer, Rode, Roger E. Miller, Rudić, Sims, Skouteris, Stienkemeier, Tao, Towsend, Troya, Vissers, von Haeften, Weck, Werner, Zdanska, Zeimen, Zeimen, Zhang   +85 more
core   +3 more sources