Search results for "CH3"

Hits ?▲	Authors	Title	Venue	Year	Link	Author keywords
87	Wei Huang 0003, Gopalakrishnan Santhanaraman, Hyun-Wook Jin, Dhabaleswar K. Panda 0001	Design Alternatives and Performance Trade-Offs for Implementing MPI-2 over InfiniBand.	PVM/MPI	2005	DBLP DOI BibTeX RDF	MPI-2, RDMA channel, CH3, ADI3, InfiniBand
30	Yu Zhang, Jinhui Yu, Hongwei Song, Minghui Yang	Structure-Based Reaction Descriptors for Predicting Rate Constants by Machine Learning: Application to Hydrogen Abstraction from Alkanes by CH3/H/O Radicals.	J. Chem. Inf. Model.	2023	DBLP DOI BibTeX RDF
30	Jemal Mohamed Ali, Ahmed Mustefa Mohammed, Yedilfana Setarge Mekonnen	Mechanistic study on the coupling reaction of CO2 with propylene oxide catalyzed by (CH3)4PI·MgCl2.	J. Comput. Chem.	2022	DBLP DOI BibTeX RDF
30	Mehnaz Tabassum Mahin, Bo-Chun Wang, Kamini Jagtiani, Michael Carey, Keshav Murthy	CH3: A Mixed Workload Benchmark for Scalable NoSQL.	IEEE Big Data	2022	DBLP DOI BibTeX RDF
30	Edson F. V. de Carvalho, Guilherme D. Vicentini, Tiago Vinicius Alves, Orlando Roberto-Neto	Variational transition state theory rate constants and H/D kinetic isotope effects for CH3 + CH3OCOH reactions.	J. Comput. Chem.	2020	DBLP DOI BibTeX RDF
30	Oleg Gradov	Filopodial rheology modeling using synthetic elastomers. Case of the form made from the monomer (CH2=C(CH3)2) via cationic addition polymerization.		2020	DOI RDF
30	Natalja Vogt, Jean Demaison, Jürgen Vogt, Heinz Dieter Rudolph	Why it is sometimes difficult to determine the accurate position of a hydrogen atom by the semiexperimental method: Structure of molecules containing the OH or the CH3 group.	J. Comput. Chem.	2014	DBLP DOI BibTeX RDF
30	Yuhei Shimada, Junichi Ishino, Shinya Shirasaki, Takuyuki Irie, Akihiko Kikuchi	Effect of MgZnO-bilayer/BA-CH3 combination interlayer on emission characteristics of MoO3/F8BT/ZnO hybrid light emitting diodes fabricated on ZnO/Ag/ZnO transparent cathode.	Displays	2013	DBLP DOI BibTeX RDF
30	Hui Zhang 0060, Liu Yang, Jing-Yao Liu, Ze-Sheng Li	Theoretical study on the reaction CX3 + SiH(CH3)3 (X = H, F).	J. Comput. Chem.	2012	DBLP DOI BibTeX RDF
30	Jyh Shing Lin, Shao-Yu Lu, Po-Jung Tseng, Wen-Chi Chou	Temperature dependence of vibrational modes of CH3‒C≡C(ads) and I(ads) coadsorbed on Ag(111): Ab initio molecular dynamics approach.	J. Comput. Chem.	2012	DBLP DOI BibTeX RDF
30	Hui Zhang 0060, Guiling Zhang, Jing-Yao Liu, Miao Sun, Bo Liu 0059, Ze-Sheng Li	Theoretical studies on the reactions CH3SCH3 with OH, CF3, and CH3 radicals.	J. Comput. Chem.	2010	DBLP DOI BibTeX RDF
30	Hui Zhang 0060, Guiling Zhang, Jing-Yao Liu, Miao Sun, Bo Liu 0059, Ze-Sheng Li	Theoretical study and rate constants calculation for the reactions of SiH3 radical with SiH3CH3 and SiH2(CH3)2.	J. Comput. Chem.	2010	DBLP DOI BibTeX RDF
30	Ali Ebrahimi, S. Mostafa Habibi Khorassani, Hojat Delarami, Hadi Esmaeeli	The effect of CH3, F and NO2 substituents on the individual hydrogen bond energies in the adenine-thymine and guanine-cytosine base pairs.	J. Comput. Aided Mol. Des.	2010	DBLP DOI BibTeX RDF
30	Hui Zhang 0060, Guiling Zhang, Jing-Yao Liu, Miao Sun, Bo Liu 0059, Ze-Sheng Li	Theoretical study on the reaction of SiH(CH3)3 with SiH3 radical.	J. Comput. Chem.	2009	DBLP DOI BibTeX RDF
30	Yue-meng Ji, Xiao-lei Zhao, Jing-Yao Liu, Ying Wang, Ze-Sheng Li	Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCln (n = 0-3) with the chlorine atom.	J. Comput. Chem.	2008	DBLP DOI BibTeX RDF
30	Jian Wang 0097, Yi-Hong Ding, Shao-Wen Zhang, Chia-Chung Sun	Theoretical study on the methyl radical with chlorinated methyl radicals CH3-nCln (n = 1, 2, 3) and CCl2.	J. Comput. Chem.	2007	DBLP DOI BibTeX RDF
30	Ying Wang, Jing-Yao Liu, Ze-Sheng Li	Ab initio direct dynamics studies on the reactions of chlorine atom with CH3-nFnCH2OH (n = 1-3).	J. Comput. Chem.	2007	DBLP DOI BibTeX RDF
30	Yue Zhang, Shaowen Zhang, Qian Shu Li	A dual-level ab initio and hybrid density functional theory dynamics study on the unimolecular decomposition reaction C2H5O CH2O + CH3.	J. Comput. Chem.	2004	DBLP DOI BibTeX RDF
30	Yang Wu, Yi-Hong Ding, Jing-Fa Xiao, Ze-Sheng Li, Xu-Ri Huang, Chia-Chung Sun	Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4).	J. Comput. Chem.	2002	DBLP DOI BibTeX RDF
30	Willian R. Rocha, Wagner B. De Almeida	Carbonyl insertion reaction into the PtC bond in heterobimetallic Pt(SnCl3)(PH3)2(CO)(CH3) compound: Theoretical study.	J. Comput. Chem.	2000	DBLP DOI BibTeX RDF
30	Luis Carballeira, Ignacio Pérez-Juste	An ab initio interpretation in gas phase and aqueous solution of the generalized anomeric effect in ROCR2NR2 (R = H, CH3).	J. Comput. Chem.	2000	DBLP DOI BibTeX RDF
30	Ramón López, José A. Sordo, Tomás Luis Sordo, Paul von Ragué Schleyer	Ab initio study of the formation of C3H3+ from the reaction of CH3+ with acetylene.	J. Comput. Chem.	1996	DBLP DOI BibTeX RDF
30	Friedrich Matthias Bickelhaupt, Miquel Solà, Paul von Ragué Schleyer	Theoretical Investigation of the Relative Stabilites of XSSX and X2SS Isomers (X=F, C1, H, and CH3.	J. Comput. Chem.	1995	DBLP DOI BibTeX RDF
30	Mutsumi Aoyagi, Ron L. Shepard, Albert F. Wagner	An Ab Initio Theoretical Study of the CH + H2 ⇌ Ch3 * ⇌ Ch2 + H Reactions.	Int. J. High Perform. Comput. Appl.	1991	DBLP DOI BibTeX RDF
25	Guillaume Mercier, François Trahay, Elisabeth Brunet, Darius Buntinas	NewMadeleine: An efficient support for high-performance networks in MPICH2.	IPDPS	2009	DBLP DOI BibTeX RDF
25	Darius Buntinas, Guillaume Mercier, William Gropp	Design and Evaluation of Nemesis, a Scalable, Low-Latency, Message-Passing Communication Subsystem.	CCGRID	2006	DBLP DOI BibTeX RDF
25	René Grabner, Frank Mietke, Wolfgang Rehm	Implementing an MPICH-2 Channel Device over VAPI on InfiniBand.	IPDPS	2004	DBLP DOI BibTeX RDF	MPI2, Message Passing, Cluster Computing, InfiniBand, RDMA, MPICH2
25	Ernesto Garcia, Carlos Sánchez, Margarita Albertí, Antonio Laganà	Bond Order Potentials for a priori Simulations of Polyatomic Reactions.	ICCSA (2)	2004	DBLP DOI BibTeX RDF
25	Yun-Bo Duan, Anne B. McCoy	Quantum Mechanical Simulation of Vibration-Torsion-Rotation Levels of Methanol.	International Conference on Computational Science (2)	2001	DBLP DOI BibTeX RDF