References
- Beauchamp RO, Jr, Bus JS, Popp JA, et al. A critical review of the literature on carbon disulfide toxicity. Crit Rev Toxicol. 1983;11(3):169–278. doi: 10.3109/10408448309128255
- Wang R, Zhang D. Theoretical study of the adsorption of carbon monoxide on pristine and silicon-doped boron nitride nanotubes. Aust J Chem. 2008;61:941–945. doi: 10.1071/CH08226
- Ahmadi Peyghan A, Omidvar A, Hadipour NL, et al. Can aluminum nitride nanotubes detect the toxic NH3 molecules? Physica E. 2012;44:1357–1360. doi: 10.1016/j.physe.2012.02.018
- Taguchi T, Igawa N, Yamamoto H, et al. Synthesis of silicon carbide nanotubes. J Am Ceram Soc. 2005;88:459–461. doi: 10.1111/j.1551-2916.2005.00066.x
- Pham-Huu C, Keller N, Ehret Gand Ledoux MJ. The first preparation of silicon carbide nanotubes by shape memory synthesis and their catalytic potential. J Catal. 2001;200:400–410. doi: 10.1006/jcat.2001.3216
- Zhang JM, Chen LY, Wang SF, et al. Comparison of the structural, electronic and magnetic properties of Fe, Co and Ni nanowires encapsulated into silicon carbide nanotube. Eur Phys J Cond Mat Comp Syst. 2010;73:555–561.
- Van Hieu N, Duc NAP, Trung T, et al. Gas-sensing properties of tin oxide doped with metal oxides and carbon nanotubes: a competitive sensor for ethanol and liquid petroleum gas. Sensors Actuators B. 2010;144:450–456. doi: 10.1016/j.snb.2009.03.043
- Leghrib R, Felten A, Pireaux JJ, et al. Gas sensors based on doped-CNT/SnO2 composites for NO2 detection at room temperature. Thin Solids Films. 2011;520:966–970. doi: 10.1016/j.tsf.2011.04.186
- Singh RS. Hydrogen adsorption on sulphur-doped SiC nanotubes. Mater Res Express. 2016;3:075014. doi: 10.1088/2053-1591/3/7/075014
- Singh RS, Solanki A. Hydrogen adsorption in metal-decorated silicon carbide nanotubes. Chem Phys Lett. 2016;660:155–159. doi: 10.1016/j.cplett.2016.08.021
- Singh RS, Solanki A. Modulation of electronic properties of silicon carbide nanotubes via sulphur-doping: an ab initio study. Phys Lett A. 2016;380:1201–1204. doi: 10.1016/j.physleta.2016.01.029
- Hohenberg P, Kphn W. Inhomogeneous electron gas. Phys Rev. 1964;136:B864–B871. doi: 10.1103/PhysRev.136.B864
- Boys SB, Bernardi F. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors. Mol Phys. 1970;19:553. doi: 10.1080/00268977000101561
- Cyrañski MK, Krygowski TM, Katritzky AR, et al. To what extent can aromaticity be defined uniquely? J Org Chem. 2002;67:1333–1338. doi: 10.1021/jo016255s
- Reed AE, Curtiss LA, Weinhold F. Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint. Chem Rev. 1988;88:899–926. doi: 10.1021/cr00088a005
- Glendening ED, Reed AE, Carpenter JE, et al. NBO version 3.1. Pittsburgh, PA: Gaussian, Inc.; 1992.
- Frisch MJ, Trucks GW, Schlegel HB, et al. Gaussian 03, revision C. 02. Wallingford, CT: Gaussian, Inc.; 2004.
- Koopmans TA. Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms. Physica. 1934;1:104–113. doi: 10.1016/S0031-8914(34)90011-2
- Pearson RG. Absolute electronegativity and absolute hardness of Lewis acids and bases. J Am Chem Soc. 1985;107:6801–6806. doi: 10.1021/ja00310a009
- Parr RG, Chattaraj PK. Principle of maximum hardness. J Am Chem Soc. 1991;113:1854–1855. doi: 10.1021/ja00005a072
- Ehlers AW, Baerends EJ, Lammertsma K. Nucleophilic or electrophilic phosphinidene complexes ML n PH; what makes the difference? J Am Chem Soc. 2002;124:2831. doi: 10.1021/ja017445n
- Pandey KK, Frenking G. Where are the hydrogen atoms in [(η5-C5H5)(PH3)2W(H2SiMe2)]+? A theoretical study. Eur J Inorg Chem. 2004;2004:4388. doi: 10.1002/ejic.200400353
- Biegler-König F, Schönbohm J. Update of the AIM2000-program for atoms in molecules. J Comput Chem. 2002;23:1489–1494. doi: 10.1002/jcc.10085
- Schulz H, Thiemann KH. Structure parameters and polarity of the wurtzite type compounds SiC–2H and ZnO. Solid State Commun. 1979;32:783–785. doi: 10.1016/0038-1098(79)90754-3
- Zahedi E. Adsorption of nitrogen dioxide on C30B15N15 heterofullerene:AIM and NBO study via DFT. C R Chimie. 2013;16:189–194. doi: 10.1016/j.crci.2012.09.011