Papers recently cited Multiwfn are shown below, the indices are sorted according to publication date. To check list of old publications that cited Multiwfn please click: citedby.txt

Pdf files of all papers cited Multiwfn until Mar 14, 2016 can be downloaded here (1010 papers): http://pan.baidu.com/s/1eQTU9cY



1901 Wei Zhang, Yang Wang, Lidong Wang, et al., Insights into chemoselective fluorination reaction of alkynals via N-heterocyclic carbene and Brønsted base cooperative catalysis, Theoret. Chem. Acc., 136, 94 (2017) https://link.springer.com/article/10.1007/s00214-017-2127-6

1902 Testing the ability of rhodanine and 2, 4-thiazolidinedione to interact with the human pancreatic alpha-amylase: electron-density descriptors complement molecular docking, QM, and QM/MM dynamics calculations, J. Mol. Model., 23, 252 (2017) https://link.springer.com/article/10.1007/s00894-017-3418-5

1903 Ling Liu, Xiuhui Zhang, Zesheng Li, et al, Gas-phase hydration of glyoxylic acid: Kinetics and atmospheric implications, Chemosphere (2017) http://www.sciencedirect.com/science/article/pii/S0045653517312298

1904 Caio Lima Firme, Diógenes Mendes Araújo, D2BIA—flexible, not (explicitly) arbitrary and reference/structurally invariant—a very effective and improved version of the D3BIA aromaticity index, J. Mol. Model., 23, 253 (2017) https://link.springer.com/article/10.1007/s00894-017-3433-6

1905 Changcheng Jiang, Philip J. Young, Samantha E. Brown-Xu, et al., Probing Interligand Electron Transfer in the 1MLCT S1 Excited State of trans-Mo2L2L′2 Compounds: A Comparative Study of Auxiliary Ligands and Solvents, Inorg. Chem. (2017) http://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.7b01164

1906 Yanling Wang, Quan-Song Li, Ze-Sheng Li, Novel benzodithiophene-based polymer acceptors for efficient organic solar cells, Phys. Chem. Chem. Phys. (2017) http://pubs.rsc.org/en/content/articlehtml/2017/cp/c7cp04372d

1907 Vytor Pinheiro Oliveira, Dieter Cremer, Elfi Kraka, The Many Facets of Chalcogen Bonding - Described by Vibrational Spectroscopy, J. Phys. Chem. A (2017) http://pubs.acs.org/doi/abs/10.1021/acs.jpca.7b06479

1908 Juan Vicente Alegre Requena, Eugenia Marqués-López, Raquel P. Herrera, “Push-Pull π+/π-” (PPππ) Systems in Catalysis, ACS Catal. (2017) http://pubs.acs.org/doi/abs/10.1021/acscatal.7b02446

1909 Zhiqiang Luo, Luojia Liu, Qing Zhao, et al., Insoluble Benzoquinone Derivative Cathode with Rigid Ring for Organic Rechargeable Lithium-Ion Battery, Angew. Chem. Int. Ed. (2017) http://onlinelibrary.wiley.com/doi/10.1002/anie.201706604/full

1910 Felipe Silveira de Souza Schneider, DESVENDANDO A NATUREZA FÍSICA DA INTERAÇÃO ENTRE ÓXIDOS DE FOSFINAS SECUNDÁRIAS E NANOCLUSTERS DE PRATA, Dissertion of Universidade Federal de Santa Catarina (2017) https://repositorio.ufsc.br/bitstream/handle/123456789/178101/347092.pdf

1911 Debdutta Chakraborty, Ranjita Das, Pratim K. Chattaraj, Change in Optoelectronic Properties of ExBox+4 on Functionalization and Guest Encapsulation, Phys. Chem. Chem. Phys. (2017) http://pubs.rsc.org/en/content/articlehtml/2017/cp/c7cp02433a

1912 Jiguang Du, Gang Jiang, Adsorption of 5f-electron atoms (Th-Cm) on graphene surface: an all-electron ZORA-DFT study, J. Colloid Interf. Sci. (2017) http://www.sciencedirect.com/science/article/pii/S0021979717309219

1913 Bo Li, Chao Xu, Xuan Xu, et al., Remarkable nonlinear optical response of excess electron compounds: Theoretically designed alkali-doped aziridine M-(C2NH5)n, Phys. Chem. Chem. Phys. (2017) http://pubs.rsc.org/en/content/articlehtml/2017/cp/c7cp04764a

1914 H.R. Ghenaatian, Structural and electronic properties of alumaphosphinine complexes with metal ions: A theoretical study, Scientia Iranica C, 24, 1181 (2017) http://scientiairanica.sharif.edu/article_4099.html

1915 Na Hou, Yuan-Yuan Wu, Hai-Shun Wu, Hui-Min He, The important role of superalkalis on the static first hyperpolarizabilities of new electrides: Theoretical investigation on superalkali-doped hexamethylenetetramine (HMT), Synthetic Metals, 232, 39 (2017) http://www.sciencedirect.com/science/article/pii/S0379677917302102

1916 Alexander N. Isaev, Two kinds of X−H...C(sp3) hydrogen bond formed by the methide anion: Syn- and anti-orientation of monomers, Comput. Theor. Chem. (2017) http://www.sciencedirect.com/science/article/pii/S2210271X17303687

1917 P. Krishna Murthya, M. Smithab, Y. Sheena Mary, et al., Supramolecular architecture of 5-bromo-7-methoxy-1-methyl-1H-benzoimidazole.3H2O: Synthesis, spectroscopic investigations, DFT computation, MD simulations and docking studies, J. Mol. Struct. (2017) http://www.sciencedirect.com/science/article/pii/S0022286017311067

1918 Alan Miralrio, Arturo Hernandez-Hernandez, Jose A. Pescador-Rojas, et al., Theoretical study of the stability and properties of magic numbers (m = 5, n = 2) and (m = 6, n = 3) of bimetallic bismuth-copper nanoclusters; Bim Cun, Int. J. Quantum. Chem. (2017) http://onlinelibrary.wiley.com/doi/10.1002/qua.25449/full

1919 Maryam Hesabi, Reza Behjatmanesh-Ardakani, Investigation of carboxylation of carbon nanotube in the adsorption of anti-cancer drug: A theoretical approach, Appl. Surf. Sci., 427, 112 (2017) http://www.sciencedirect.com/science/article/pii/S0169433217323681

1920 Sotoodeh Bagheri, Hamid Reza Masoodi, Ali Reza Akrami-Mohajeri, A theoretical survey of substituent effects on the properties of pnicogen and hydrogen bonds in cationic complexes of PH4+ with substituted benzonitrile, J. Mol. Graph. Model. (2017) http://www.sciencedirect.com/science/article/pii/S1093326317303637

1921 Maksym Fizer, Vasyl Sidey, Andrii Tupys, et al., On the structure of transition metals complexes with the new tridentate dye of thiazole series: Theoretical and experimental studies, J. Mol. Struct. (2017) http://www.sciencedirect.com/science/article/pii/S0022286017311055

1922 Yong Zhou, Yun-Kun Wang, Xiao-Fei Wang, Responsive mechanism of three novel hypochlorous acid fluorescent probes and solvent effect on their sensing performance, Chinese Phys. B (2017) http://iopscience.iop.org/article/10.1088/1674-1056/26/8/083102/meta

1923 Marcela Vettorazzi, Emilio Angelina, Santiago Lima, An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors, Eur. J. Med. Chem. (2017) http://www.sciencedirect.com/science/article/pii/S0223523417306207