Results 151 to 160 of about 51,216 (341)

Manipulation of charge carrier flow in Bi₄NbO₈Cl nanoplate photocatalyst with metal loading

, 2022
Kanta Ogawa, Ryota Sakamoto, Chengchao Zhong, Hajime Suzuki, Kosaku Kato, Osamu Tomita, Kouichi Nakashima, Akira Yamakata, Takashi Tachikawa, Akinori Saeki, Hiroshi Kageyama, Ryu Abe   +11 more
openalex   +1 more source

Differential Activation Energy and NBO Interaction Approaches to Torquoselectivity and Its Dependence on the Conformational Profile of the Substituent [PDF]

, 2020
Veejendra K. Yadav
openalex   +1 more source

Defluoroalkylation of Trifluoromethane with Organolithium Reagents: Mechanism and Synthesis of Fluoroalkenes

Angewandte Chemie, Volume 138, Issue 1, 2 January 2026.
We report a rare example of the transformation of HCF3 into a fluoroalkene functional group through defluoroalkylation. We rationalise product formation through DFT calculations, scale‐up the synthesis through continuous flow methods, and show that a fluoroalkene reagent derived from HCF3 is a competent nucleophile for the fluoroethenylation of a range
Hodan R. Warsame, Sarah L. Patrick, James A. Bull, Philip W. Miller, Mark R. Crimmin   +4 more
wiley   +2 more sources

Synthesis of Antibacterial C16 Cis‐Unsaturated Fatty Acids by Transfer Semihydrogenation of Long‐Chain Alkynes Catalyzed by Palladium–Imidazo[1,5‐a]pyridine Carbene Complexes

European Journal of Organic Chemistry, Volume 29, Issue 1, January 12, 2026.
The transfer semihydrogenation of long‐chain alkynyl alcohols catalyzed by Pd–imidazo[1,5‐a]pyridine carbene (IPC) PEPPSI‐type complexes, along with the subsequent derivatization of the resulting alkenyl alcohols into the corresponding fatty acids, was investigated.
Masashi Yamashita, Fumitoshi Shibahara, Hiroshi Kikukawa, Toshihiro Nagao   +3 more
wiley   +1 more source

Noncovalent and Covalent O–H···O Interactions in PPh₃O Cocrystals: A Correlation Study Involving QTAIM, SAPT, NBO, and IBSI Methods [PDF]

Suphal Sen, Ankita Sinha, S. Banerjee, Snehasish Debnath, Aniruddha Ghosh, J. Chakraborty, J. Gangopadhyay   +6 more
openalex   +1 more source

Simulated low-gravity sloshing in spherical tanks and cylindrical tanks with inverted ellipsoidal bottoms [PDF]

Simulated low gravity sloshing in spherical and cylindrical tanks with inverted ellipsoidal ...
Dodge, F. T., Garza, L. R.
core   +1 more source

Aluminum Adducts of NHC‐Silylphosphinidenes and Their Isosteric Analogy to NHC‐Disilylsilylene Complexes

Zeitschrift für anorganische und allgemeine Chemie, Volume 652, Issue 1, January 6, 2026.
Aluminum–silicon adducts of NHC‐phosphinidenides are synthesized and structurally characterized. Their bonding and electronic structures are compared with those of isosteric NHC‐disilylsilylene complexes by DFT, NBO, and QTAIM analyses, highlighting the interplay of covalent versus coordinative interactions and emphasizing the significance of ...
Jayeeta Bhattacharjee, Dirk Bockfeld, Thomas Bannenberg, Matthias Tamm   +3 more
wiley   +1 more source

Characterization of Dimeric Interactions within Protrusion-Domain Interfaces of Parallel and X-Shaped Conformations ofMacrobrachium rosenbergiiNodavirus: A Theoretical Study Using the DFT Method along with QTAIM and NBO Analyses

, 2020
Elahe K. Astani, Nai-Chi Chen, Yen‐Chieh Huang, Sara Ersali, Pei‐Ju Lin, Hong‐Hsiang Guan, Chien-Chih Lin, Phimonphan Chuankhayan, Chun‐Jung Chen   +8 more
openalex   +1 more source

Triplett‐Metallovinylidene von Palladium und Platin auf Basis eines chelatisierenden P/Diazoalkens

Angewandte Chemie, Volume 138, Issue 1, 2 January 2026.
Es wird eine neue Klasse an chelatisierenden Diazoalkenen vorgestellt und ihre Koordinationskomplexe mit Pd und Pt charakterisiert. Durch Bestrahlung wird ein N2‐Verlust erzeugt, wodurch erstmals spektroskopisch charakterisierte Triplet‐Metallovinylidene unter Verwendung von FD‐FT‐THz‐EPR‐Spektroskopie und SQUID‐Messungen nachgewiesen werden.
Max Amann, Maria Drosou, Tarek Al Said, Alexander Allgaier, Yury Kutin, Patrick W. Antoni, Julian J. Holstein, Müge Kasanmascheff, Joris van Slageren, Alexander Schnegg, Dimitrios A. Pantazis, Max M. Hansmann   +11 more
wiley   +1 more source

Selective growth of NbO whisker.

Journal of the Ceramic Association, Japan, 1975
Seiji MOTOJIMA, Yasutaka TAKAHASHI, Kozoh SUGIYAMA   +2 more
openaire   +2 more sources