„Quantum computer“

Suchergebnisse

10.000+ Treffer

• Quantum chemical studies, vibrational analysis, molecular dynamics and docking calculations of some ent-kaurane diterpenes from Annona vepretorum: a theoretical approach to promising anti-tumor molecules
  Costa, Renyer A. ; Silva, Jonathas Nunes da ; Oliveira, Kelson M. T. ; Dutra, Lívia M. ; Costa, Emmanoel V.
• Investigation of the interaction of hypoxia-inducible factor 1-alpha inhibitor, IDF-11774, with heat shock protein, HSP70, using quantum chemistry calculations
  Karamoozian, Najmeh ; Dehestani, Maryam ; Behjatmanesh-Ardakani, Reza
• Quantum-chemical calculations on graphitic carbon nitride (g-C3N4) single-layer nanostructures: polymeric slab vs. quantum dot
  Ghashghaee, Mohammad ; Azizi, Zahra ; Ghambarian, Mehdi
• Interaction of (G4)2 and (X4)2 DNA quadruplexes with Cu+, Ag+ and Au+ metal cations: a quantum chemical calculation on structural, energetic and electronic properties
  Saravanan, Vinnarasi ; Rajamani, Akilan ; Subramaniam, Vijayakumar ; Ramasamy, Shankar
• Investigation of manganese metal coordination in proteins: a comprehensive PDB analysis and quantum mechanical study
  S., Udayalaxmi ; Gangula, Mohan Rao ; K., Ravikiran ; P., Ettaiah
• Acceptor tuning effect on TPA-based organic efficient sensitizers for optoelectronic applications—quantum chemical investigation
  Arunkumar, Ammasi ; Shanavas, Shajahan ; Acevedo, Roberto ; Anbarasan, Ponnusamy Munusamy
• Temperature dependence of rate constants for the H(D) + CH4 reaction in gas and aqueous phase: deformed Transition-State Theory study including quantum tunneling and diffusion effects
  Sanches-Neto, Flávio O. ; Coutinho, Nayara D. ; Palazzetti, Federico ; Carvalho-Silva, Valter H.
• A combined three and five inputs majority gate-based high performance coplanar full adder in quantum-dot cellular automata
  Danehdaran, Fahimeh ; Angizi, Shaahin ; Bagherian Khosroshahy, Milad ; Navi, Keivan ; Bagherzadeh, Nader
• Internal rotation and intramolecular hydrogen bonding in thiosalicylamide: gas phase electron diffraction study supported by quantum chemical calculations
  Kolesnikova, Inna N. ; Rykov, Anatolii N. ; Shuvalov, Maxim V. ; Shishkov, Igor F.
• Spin crossover in monoadducts of Co(Salen) with pyridine and imidazole: a quantum chemical study
  Starikov, A. G. ; Minkin, V. I. ; Starikova, A. A.
• Conformational relaxation of S-(+)-carvone and R-(+)-limonene studied by microwave Fourier transform spectroscopy and quantum chemical calculations
  Moreno, Juan Ramón Avilés ; Huet, Thérèse R. ; González, Juan Jesús López
• Biological activity of some ACAT inhibitors in the light of DFT-based quantum descriptors
  Roy, Sutapa Mondal ; Sharma, Bhumika K. ; Roy, Debesh R.
• Interactions of (MY)6 (M = Zn, Cd; Y = O, S, Se) quantum dots with N-bases
  Michalczyk, Mariusz ; Zierkiewicz, Wiktor ; Scheiner, Steve
• Molecular conformational structures of 2-fluorobenzoyl chloride, 2-chlorobenzoyl chloride, and 2-bromobenzoyl chloride by gas electron diffraction and normal coordinate analysis aided by quantum chemical calculations
  Johansen, Tore H. ; Dahl, Paul I. ; Hagen, Kolbjørn
• Structural correlation and computational quantum chemical explorations of two 1,2,3-triazolyl-methoxypyridine derivatives as CYP51 antifungal inhibitors
  Ravikumar, C. ; Murugavel, S.
• The molecular structure of tris-2,2,6,6-tetramethyl-heptane-3,5-dione aluminium: gas-phase electron diffraction, quantum chemical calculations and X-ray crystallography
  Belova, N. V. ; Dalhus, B. ; Girichev, G. V. ; Giricheva, N. I. ; Haaland, A. ; Kuzmima, N. P. ; Zhukova, T. A.
• Performance evaluation of an ultra-high speed adder based on quantum-dot cellular automata
  Ahmad, Firdous ; John, Mohd Umar ; Khosroshahy, Milad Bagherian ; Sarmadi, Soheil ; Bhat, G. Mohiuddin ; Peer, Zahoor Ahmad ; Wani, Shah Jahan
• Quantum chemical study of the nature of interactions between the boraphosphinine and alumaphosphinine with some of the mono- and divalent cations: cation–π or cation–lone pair?
  Bavafa, Sadeghali ; Nowroozi, Alireza ; Ebrahimi, Ali
• Spatial packing of diols and esters with imidazoquinazoline ring—quantum-mechanical modeling
  Hęclik, K. ; Szyszkowska, A. ; Zarzyka, I.
• A quantum chemical study on the reactivity of four licorice flavonoids scavenging ·OOCl3C
  Wang, Aihua ; Lu, Yang ; Du, Xia ; Shi, Peng ; Zhang, Hui