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  • Currently displaying 10041 - 10060 of 29303 publications
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An unusual coordination polymer containing Cu+ ions and featuring possible Cu•••Cu 'cuprophilic' interactions: poly[di-μ-chlorido-(μ4-3,5-diaminobenzoato-κ4O:O′:N:N′)tricopper(I)(3 Cu-Cu)]
MK Khosa, PT Wood, SM Humphrey, WTA Harrison
Acta Crystallographica Section C: Structural Chemistry
(2016)
72
Numerical modelling strategies for the urban atmosphere: general discussion
R MacKenzie, A Tomlin, J Kleffmann, T Karl, CN Hewitt, D Heard, K Sartelet, R Sommariva, U Baltensperger, R Harrison, S Madronich, G McFiggans, S Pandis, J Wenger, A Kiendler-Scharr, NM Donahue, R Dunmore, R Doherty, S Moller, I Kilbane-Dawe, B McDonald, A Wahner, S Zhu, A Presto, M Kalberer, M Hort, J Lee, I Nikolova, JL Jimenez, L Whalley, MS Alam, A Skouloudis
Faraday Discussions
(2016)
189
Toward the suppression of cellular toxicity from single-walled carbon nanotubes
Z Gao, JA Varela, L Groc, B Lounis, L Cognet
Biomater Sci
(2016)
4
Catalyst nanoparticle growth dynamics and their influence on product morphology in a CVD process for continuous carbon nanotube synthesis
C Hoecker, F Smail, M Bajada, M Pick, A Boies
Carbon
(2016)
96
Urban case studies: general discussion.
W Brune, W Bloss, Z Shi, F Pope, G Fuller, PS Monks, A Tomlin, T Karl, M Hort, C Mohr, R MacKenzie, A Vlachou, Z Tian, LJ Kramer, D Heard, R Purvis, X Querol, U Baltensperger, R Dunmore, R Harrison, T Murrells, JL Jimenez, E Cross, G McFiggans, A Kiendler-Scharr, T-R Ho, A Charron, T Wallington, N Krishna Kumar, S Pieber, F Geiger, A Wahner, E Mitchell, A Prévôt, A Skouloudis, M Kalberer, B McDonald, CN Hewitt, C Sioutas, NM Donahue, J Lee, D van Pinxteren, S Moller, MC Minguillón, M Shafer, D Carslaw, C Ehlers, S Pandis
Faraday Discussions
(2016)
189
Metainference: A Bayesian inference method for heterogeneous systems
M Bonomi, C Camilloni, A Cavalli, M Vendruscolo
Science advances
(2016)
2
Stochastic quantum chemistry for strong correlation
G Booth, R Thomas, N Blunt, R Anderson, Q Sun, T Shiozaki, A Alavi
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
251
Fractals in carbon nanotube buckypapers
C Zhang, H Cui, Z He, L Su, D Fu
Rsc Advances
(2016)
6
Energy transfer in pendant perylene diimide copolymers
NJLK Davis, RW MacQueen, DA Roberts, A Danos, S Dehn, S Perrier, TW Schmidt
Journal of Materials Chemistry C
(2016)
4
Non-adiabatic reactions: General discussion
SC Althorpe, N Ananth, G Angulo, RD Astumian, V Beniwal, J Blumberger, PG Bolhuis, B Ensing, DR Glowacki, S Habershon, S Hammes-Schiffer, TJH Hele, N Makri, DE Manolopoulos, LK McKemmish, TF Miller, WH Miller, AJ Mulholland, T Nekipelova, E Pollak, JO Richardson, M Richter, P Roy Chowdhury, D Shalashilin, R Szabla
Faraday Discussions
(2016)
195
Nano-MoO3-mediated synthesis of bioactive thiazolidin-4-ones acting as anti-bacterial agents and their mode-of-action analysis using in silico target prediction, docking and similarity searching
KH Kumar, S Paricharak, CD Mohan, H Bharathkumar, GP Nagabhushana, DK Rajashekar, GT Chandrappa, A Bender, B Basappa, KS Rangappa
New Journal of Chemistry
(2016)
40
Nanocomposites: general discussion
G Kumaraswamy, S Kumar, S Kulkarni, A Srivastav, P Roy Chowdhury, GV Pavan Kumar, E Eiser, A Edwards, BLV Prasad, MG Basavaraj, N Shetti, M Bockstaller, H Medhi, YM Joshi, NS John, C Chakravarty, V Shinde, R Bandyopadhyaya, N Kotov, R Krishnamoorti, M Couty, J Jestin, D Frenkel
Faraday Discussions
(2016)
186
On the predictability of supramolecular interactions in molecular cocrystals - the view from the bench
MK Corpinot, SA Stratford, M Arhangelskis, J Anka-Lufford, I Halasz, N Judaš, W Jones, D-K Bučar
Crystengcomm
(2016)
18
Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations
K Konstantinou, PV Sushko, DM Duffy
Physical Chemistry Chemical Physics
(2016)
18
Nanotechnology to rescue bacterial bidirectional extracellular electron transfer in bioelectrochemical systems
S Kalathil, D Pant
RSC Advances
(2016)
6
QTAIM and Stress Tensor Interpretation of the (H2O)5 Potential Energy Surface
T Xu, J Farrell, Y Xu, R Momen, SR Kirk, S Jenkins, DJ Wales
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2016)
37
Stable bromoallene oxides.
D Christopher Braddock, A Mahtey, HS Rzepa, AJP White
Chem Commun (Camb)
(2016)
52
Understanding cytotoxicity in high-throughput screening collections using an in silico polypharmacological prediction protocol
L Mervin, Q Cao, I Barrett, M Firth, D Murray, O Engkvist, A Bender
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
252
Comparison of surface techniques for the discrimination of polymorphs
R Thakuria, MD Eddleston, EHH Chow, LJ Taylor, BJ Aldous, JF Krzyzaniak, W Jones
Crystengcomm
(2016)
18
Chapter Two Thermodynamic Effective Molarities for Supramolecular Complexes
P Motloch, CA Hunter
(2016)
50