„Quantum Computer“

Suchergebnisse

10.000+ Treffer

• Quantum chemical investigation of the detection properties of alternariol and alternariol monomethyl ether
  Tu, Yi-Shu ; Tseng, Yufeng J. ; Appell, Michael
• Quantum-chemical calculation of molecular structures of Al2Mn3 and Al2Zn3 clusters by using DFT method
  Mikhailov, O. V. ; Chachkov, D. V.
• Quantum chemical study on isomerization and transformation of hexabromocyclododecanes
  Cao, Haijie ; Wu, Shijie ; He, Maoxia
• Solvent effects on the molecular stability, intramolecular hydrogen bond, and π-electron delocalization in the simple RAHB systems with different donors and acceptors: a quantum chemical study
  Rafat, Ramin ; Nowroozi, Alireza
• Elucidating the intermolecular hydrogen bonding interaction of proline with amides—quantum chemical calculations
  Chopra, Geetanjali ; Chopra, Neha ; Kaur, Damanjit
• Structural variation, π-charge transfer, and transmission of electronic substituent effects through the carbon-carbon triple bond in β-substituted phenylacetylenes: a quantum chemical study, and a comparison with (E)-β-substituted styrenes
  Campanelli, Anna Rita ; Domenicano, Aldo
• Structural diversity of metallacycle intermediates for ethylene dimerization on heterogeneous NiMCM-41 catalyst: a quantum chemical perspective
  Ghambarian, Mehdi ; Ghashghaee, Mohammad ; Azizi, Zahra ; Balar, Mahboobeh
• Quantum image processing: challenges and future research issues
  Chakraborty, Sanjay ; Mandal, Sudhindu Bikash ; Shaikh, Soharab Hossain
• Computational studies on the doped graphene quantum dots as potential carriers in drug delivery systems for isoniazid drug
  Vatanparast, Morteza ; Shariatinia, Zahra
• Structural analysis and probing the conformational space of dansylamide by means of gas-phase electron diffraction and quantum chemistry
  Dakkouri, Marwan ; Girichev, Georgiy ; Giricheva, Nina ; Petrov, Vjacheslav ; Petrova, Valentina
• The structure of tris(chloromethyl)amine in the gas phase using quantum chemical calculations and gas electron diffraction and as a solid and melt using Raman spectroscopy
  Rankine, Conor D. ; Atkinson, Sandra J. ; Waterland, Mark R. ; Masters, Sarah L. ; Wann, Derek A.
• A quantum chemical study of the interactions of uracil as a constituent of ribonucleic acid (RNA) with thiazolidinedione and rhodanine bioactive molecules: an insight into energetic and structural features
  Khalili, Behzad ; Rimaz, Mehdi
• Survey of quantum mechanic calculations on combination of carbon nanotube and Methotrexate drug
  Najafi, F. ; Zare, K.
• Tautomerism of 4-phenyl-2,4-dioxobutanoic acid. Insights from pH ramping NMR study and quantum chemical calculations
  Cvijetić, Ilija N. ; Pešić, Miloš P. ; Todorov, Miljana D. ; Drakulić, Branko J. ; Juranić, Ivan O. ; Verbić, Tatjana Ž ; Zloh, Mire
• Quantum chemical calculations of the active site of the solute-binding protein PsaA from Streptococcus pneumoniae explain electronic selectivity of metal binding
  Manzetti, Sergio
• Stabilization of boron clusters with classical fullerene structures by combined doping effect: a quantum chemical study
  Gribanova, Tatyana N. ; Minyaev, Ruslan M. ; Minkin, Vladimir I.
• Quantum chemical properties investigation and molecular docking analysis with DNA topoisomerase II of β-carboline indole alkaloids from Simaba guianensis: a combined experimental and theoretical DFT study
  Costa, Renyer A. ; Oliveira, Kelson M. T. ; Cássia Saraiva Nunomura, Rita de ; Junior, Earle Silva A. ; Pinheiro, Maria Lucia B. ; Costa, Emmanoel V. ; Barison, Andersson
• Chemisorption of BH3 and BF3 on aluminum nitride nanocluster: quantum-chemical investigations
  Rad, Ali Shokuhi
• Structure and electronic properties of deformed single-walled carbon nanotubes: quantum calculations
  Thompho, Somphob ; Saengsawang, Oraphan ; Rungrotmongkol, Thanyada ; Kungwan, Nawee ; Hannongbua, Supot
• The hydrogen-bonded complexes of the 5-fluorouracil with the DNA purine bases: a comprehensive quantum chemical study
  Nakhaei, Ebrahim ; Nowroozi, Alireza ; Ravari, Fateme