Quantum Chemistry
3,656 papers from PubMed
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 2737-2748 of 3,656
Conformational and stereoelectronic investigation of tryptamine. An AIM/NBO study.
Lobayan RM, Pérez Schmit MC, Jubert AH, Vitale A
Crystal structure, detonation performance, and thermal stability of a new polynitro cage compound: 2, 4, 6, 8, 10, 12, 13, 14, 15-nonanitro-2, 4, 6, 8, 10, 12, 13, 14, 15-nonaazaheptacyclo [5.5.1.1(3, 11).1 (5, 9)] pentadecane.
Zhang JY, Du HC, Wang F, Gong XD, Ying SJ
Density functional theory study on the interaction between keto-9H guanine and aspartic acid.
Harris PT, Hill GA
DFT energy optimization of a large carbohydrate: cyclomaltohexaicosaose (CA-26).
Schnupf U, Momany FA
DFT modeling, UV-Vis and IR spectroscopic study of acetylacetone-modified zirconia sol-gel materials.
Georgieva I, Danchova N, Gutzov S, Trendafilova N
DFT studies of COOH tip-functionalized zigzag and armchair single wall carbon nanotubes.
Chełmecka E, Pasterny K, Kupka T, Stobiński L
Diffuse Optical Monitoring of the Neoadjuvant Breast Cancer Therapy.
Choe R, Durduran T
Dynamic water networks in cytochrome cbb3 oxidase.
Sharma V, Wikström M, Kaila VR
Effect of oxygen concentration on the growth of Nannochloropsis sp. at low light intensity.
Raso S, van Genugten B, Vermuë M, Wijffels RH
Estimating the carbonyl anharmonic vibrational frequency from affordable harmonic frequency calculations.
Buczek A, Kupka T, Sauer SP, Broda MA
First-principles study of energetic complexes (II): (5-cyanotetrazolato-N2) pentaammine cobalt (III) perchlorate (CP) and Ni, Fe and Zn analogues.
Shang J, Zhang JG, Zhang TL, Huang HS, Zhang SW, Zhou ZN
Fluorescence lifetime imaging of E-combretastatin uptake and distribution in live mammalian cells.
Bisby RH, Botchway SW, Hadfield JA, McGown AT, Parker AW, Scherer KM