المؤلفون: Zheng-Wang Qu, Hui Zhu

المصدر: Journal of Computational Chemistry. 35:1107-1110

مصطلحات موضوعية: Computational Mathematics, chemistry.chemical_compound, Chemistry, Dimer, Substituent, Boranes, Aromaticity, Thermal stability, General Chemistry, Ring (chemistry), Photochemistry, Isomerization, Ring-opening polymerization

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::beb8fcbcccbe870d939adc899ea2a9cfTest
https://doi.org/10.1002/jcc.23555Test

المؤلفون: Ze-Sheng Li, Zheng-wang Qu, Qi-yuan Zhang, Hui Zhu

المصدر: Journal of Computational Chemistry. 23:414-419

مصطلحات موضوعية: Reaction mechanism, Carbon disulfide, Hydride, chemistry.chemical_element, General Chemistry, Transition state, Ion, Computational Mathematics, chemistry.chemical_compound, chemistry, Computational chemistry, Potential energy surface, Physical chemistry, Boron, Diborane

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f5ba6e36243e0baa6c225e8804a4ad9Test
https://doi.org/10.1002/jcc.1171Test

المؤلفون: Hui Zhu, Zheng-Wang Qu

المصدر: Journal of computational chemistry. 31(10)

مصطلحات موضوعية: Band gap, Photoemission spectroscopy, Inorganic chemistry, Oxide, General Chemistry, Electron, Ion, Computational Mathematics, chemistry.chemical_compound, chemistry, Chemical physics, Electron affinity, Physics::Atomic and Molecular Clusters, Cluster (physics), Density functional theory, Physics::Chemical Physics

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ffd5bd19010749d4d9e74f0eceea03b8Test
https://pubmed.ncbi.nlm.nih.gov/20222057Test

المؤلفون: Zheng-wang Qu, Ze-Sheng Li, Xing-Kang Zhang, Qi-yuan Zhang, Hui Zhu

المصدر: Journal of computational chemistry. 25(2)

مصطلحات موضوعية: chemistry.chemical_classification, Reaction mechanism, Alkene, General Chemistry, Borohydride, Medicinal chemistry, Dissociation (chemistry), Adduct, Computational Mathematics, chemistry.chemical_compound, chemistry, Computational chemistry, Potential energy surface, Electrophile, Carborane

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd7200dff3f040e73ffe0ab32d3df125Test
https://pubmed.ncbi.nlm.nih.gov/14648624Test

المؤلفون: Zheng-wang Qu, Qi-yuan Zhang, Xing-Kang Zhang, Hui Zhu

المصدر: Journal of computational chemistry. 24(3)

مصطلحات موضوعية: Computational Mathematics, Electron transfer, Cyclobutanes, chemistry.chemical_compound, Reaction mechanism, chemistry, Radical ion, General Chemistry, Photochemistry, Isomerization, Dissociation (chemistry), Catalysis, Cyclobutane

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d5ff34028bbb3f485b10c8fe29eba2bTest
https://pubmed.ncbi.nlm.nih.gov/12548725Test

المؤلفون: Zheng-wang Qu, Hui Zhu, Volkhard May

المصدر: Journal of computational chemistry. 32(8)

مصطلحات موضوعية: Spectrophotometry, Infrared, Chemistry, Stereochemistry, Hydrogen bond, Hydrogen Bonding, General Chemistry, Antiparallel (biochemistry), Methylation, Protein Structure, Secondary, Peptide Conformation, Computational Mathematics, Cyclosporin a, Vibrational circular dichroism, Side chain, Cyclosporine, Peptide bond, Peptides, Protein secondary structure

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::696ddb3f6ad892711de1eafd0cd0e6caTest
https://pubmed.ncbi.nlm.nih.gov/21351108Test

المؤلفون: ZHENG-WANG QU¹ zheng@physik.hu-berlin.de, HUI ZHU²

المصدر: Journal of Computational Chemistry. Jul2010, Vol. 31 Issue 10, p2038-2045. 8p. 2 Diagrams, 1 Chart, 3 Graphs.

مصطلحات موضوعية: *TITANIUM dioxide, *DENSITY functionals, *ANIONS, *PHOTOELECTRON spectroscopy, *METALLIC oxides, *ELECTRONS

المؤلفون: Zheng-Wang Qu, Hui Zhu, Ze-Sheng Li, Xing-Kang Zhang, Qi-Yuan Zhang

المصدر: Journal of Computational Chemistry; 2004, Vol. 25 Issue 2, p258-264, 7p