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Results 1 - 10 of about 82533. Search took: 1.68 seconds.
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Synthesis of N-Substituted Derivatives of N-(4-(N- (5-Chloro-2 methoxyphenyl)sulfamoyl)phenyl)acetamide with potential antiurease activity
by Rehman, A.U.; Ayoub, M.; Abbasi, M.A.; Gul, S. (Government College Univ., Lahore (Pakistan). Dept. of Chemistry); Ashraf, M. (The Islamia Univ. of Bahawalpur (Pakistan). Dept. of Biochemistry)
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Excitations and benchmark ensemble density functional theory for two electrons
http://dx.doi.org/10.1063/1.4872255
by Pribram-Jones, Aurora; Burke, Kieron (Department of Chemistry, University of California-Irvine, Irvine, California 92697 (United States)); Yang, Zeng-hui; Ullrich, Carsten A. (Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211 (United States)); Trail, John R.; Needs, Richard J. (Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, Cambridge CB3 0HE (United Kingdom))
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Interpretation of time-of-flight distributions for neutral particles under pulsed laser evaporation using direct Monte Carlo simulation
http://dx.doi.org/10.1063/1.4848718
by Morozov, Alexey A. (Institute of Thermophysics SB RAS, 1 Lavrentyev Ave., 630090 Novosibirsk (Russian Federation)), E-mail: morozov@itp.nsc.ru
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Computational efficiency improvement with Wigner rotation technique in studying atoms in intense few-cycle circularly polarized pulses
http://dx.doi.org/10.1063/1.4865747
by Yuan, Minghu; Feng, Liqiang (State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)); Lü, Rui (Laboratory of Pathogenic Biology, Medical College, Qingdao University, Qingdao 266071 (China)); Chu, Tianshu (State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Institute for Computational Sciences and Engineering, Laboratory of New Fiber Materials and Modern Textile, The Growing Base for State Key Laboratory, Qingdao University, Qingdao 266071 (China)), E-mail: tschu@dicp.ac.cn, E-mail: tschu008@163.com
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Estimation of reduced partition function ratios of lithium-graphite intercalation compounds by density functional theory
by Sato, Kunihiko; Saito, Shun; Yanase, Satoshi; Oi, Takao (Sophia Univ., Tokyo (Japan). Faculty of Science and Technology)
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Mechanistic role of citric acid in the sorption of Eu(III) at titania - water interface
by Kumar, Sumit; Kasar, Sharayu; Tomar, B.S. (Radioanalytical Chemistry Division, Bhabha Atomic Research Centre, Mumbai (India)), E-mail: bstomar@barc.gov.in
fromProceedings of the DAE-BRNS biennial symposium on emerging trends in separation science and technology
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Isolation and identification of alkaloids 4-quinolones in Ruta graveolens (Rutaceae)
17 KB - http://www.iaea.org/inis/collection/NCLCollectionStore/_Public/44/100/44100507.pdf - Text Version
by Sampaio, Olivia M.; Vieira, Paulo C.; Fernandes, Joao B.; Silva, Maria de Fatima das G.F. da (Universidade Federal de Sao Carlos (UFSCar), SP (Brazil)); Veiga, Thiago A.M. (Universidade Federal de Sao Paulo (UNIFESP), Diadema, SP (Brazil). Inst. de Ciencias Ambientais, Quimicas e Farmaceuticas), E-mail: olysampa@gmail.com; Sociedade Brasileira de Quimica (SBQ), Sao Paulo, SP (Brazil)
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Benchmarking the performance of density functional theory and point charge force fields in their description of sI methane hydrate against diffusion Monte Carlo
http://dx.doi.org/10.1063/1.4871873
by Cox, Stephen J.; Michaelides, Angelos (Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)); Towler, Michael D. (Department of Earth Sciences, University College London Gower Street, London WC1E 6BT (United Kingdom); Theory of Condensed Matter Group, Cavendish Laboratory, University of Cambridge, J.J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom)); Alfè, Dario (Thomas Young Centre and London Centre for Nanotechnology, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Earth Sciences, University College London Gower Street, London WC1E 6BT (United Kingdom)), E-mail: angelos.michaelides@ucl.ac.uk
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Investigation into the formation of the variable-valence uranium complexes with organic ligands to develop the tecniques for photochemical purification of the uranium-containing solutions
684 KB - http://www.iaea.org/inis/collection/NCLCollectionStore/_Public/44/091/44091377.pdf - Text Version
by Umreiko, D.S.; Zajogin, A.P.; Komyak, A.I.; Buloichik, J.I.; Umreiko, S.D. (Belarusian state univ., Minsk (Belarus))
fromSakharov readings 2012: environmental problems of the XXI century. Proceedings of 12 international scientific conference
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Parallel kinetic Monte Carlo simulation framework incorporating accurate models of adsorbate lateral interactions
http://dx.doi.org/10.1063/1.4840395
by Nielsen, Jens; D’Avezac, Mayeul; Hetherington, James (Research Software Development Team, Research IT Services, University College London, Torrington Place, London WC1E 6BT (United Kingdom)); Stamatakis, Michail (Department of Chemical Engineering, University College London, Torrington Place, London WC1E 7JE (United Kingdom)), E-mail: m.stamatakis@ucl.ac.uk
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