These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
150 related articles for article (PubMed ID: 35071691)
1. Simulations of x-ray absorption spectra for CO desorbing from Ru(0001) with transition-potential and time-dependent density functional theory approaches. Rodrigues GLS; Diesen E; Voss J; Norman P; Pettersson LGM Struct Dyn; 2022 Jan; 9(1):014101. PubMed ID: 35071691 [TBL] [Abstract][Full Text] [Related]
2. UV-visible absorption spectra of [Ru(E)(E')(CO)(2)(iPr-DAB)] (E = E' = SnPh(3) or Cl; E = SnPh(3) or Cl, E' = CH(3); iPr-DAB = N,N'-Di-isopropyl-1,4-diaza-1,3-butadiene): combination of CASSCF/CASPT2 and TD-DFT calculations. Turki M; Daniel C; Zális S; Vlcek A; van Slageren J; Stufkens DJ J Am Chem Soc; 2001 Nov; 123(46):11431-40. PubMed ID: 11707120 [TBL] [Abstract][Full Text] [Related]
3. Re and Br X-ray absorption near-edge structure study of the ground and excited states of [ReBr(CO)3(bpy)] interpreted by DFT and TD-DFT calculations. Záliš S; Milne CJ; El Nahhas A; Blanco-Rodríguez AM; van der Veen RM; Vlček A Inorg Chem; 2013 May; 52(10):5775-85. PubMed ID: 23631457 [TBL] [Abstract][Full Text] [Related]
4. Spin-Polarization-Induced Preedge Transitions in the Sulfur K-Edge XAS Spectra of Open-Shell Transition-Metal Sulfates: Spectroscopic Validation of σ-Bond Electron Transfer. Frank P; Szilagyi RK; Gramlich V; Hsu HF; Hedman B; Hodgson KO Inorg Chem; 2017 Feb; 56(3):1080-1093. PubMed ID: 28068071 [TBL] [Abstract][Full Text] [Related]
5. Spectroscopic and theoretical investigations of vibrational frequencies in binary unsaturated transition-metal carbonyl cations, neutrals, and anions. Zhou M; Andrews L; Bauschlicher CW Chem Rev; 2001 Jul; 101(7):1931-61. PubMed ID: 11710236 [TBL] [Abstract][Full Text] [Related]
6. Trends in covalency for d- and f-element metallocene dichlorides identified using chlorine K-edge X-ray absorption spectroscopy and time-dependent density functional theory. Kozimor SA; Yang P; Batista ER; Boland KS; Burns CJ; Clark DL; Conradson SD; Martin RL; Wilkerson MP; Wolfsberg LE J Am Chem Soc; 2009 Sep; 131(34):12125-36. PubMed ID: 19705913 [TBL] [Abstract][Full Text] [Related]
7. Experimental and theoretical comparison of the O K-edge nonresonant inelastic X-ray scattering and X-ray absorption spectra of NaReO4. Bradley JA; Yang P; Batista ER; Boland KS; Burns CJ; Clark DL; Conradson SD; Kozimor SA; Martin RL; Seidler GT; Scott BL; Shuh DK; Tyliszczak T; Wilkerson MP; Wolfsberg LE J Am Chem Soc; 2010 Oct; 132(39):13914-21. PubMed ID: 20839792 [TBL] [Abstract][Full Text] [Related]
8. The C 1s and N 1s near edge x-ray absorption fine structure spectra of five azabenzenes in the gas phase. Vall-llosera G; Gao B; Kivimäki A; Coreno M; Alvarez Ruiz J; de Simone M; Agren H; Rachlew E J Chem Phys; 2008 Jan; 128(4):044316. PubMed ID: 18247958 [TBL] [Abstract][Full Text] [Related]
9. Core-shell excitation of isoxazole at the C, N, and O K-edges - an experimental NEXAFS and theoretical TD-DFT study. Wasowicz TJ; Ljubić I; Kivimäki A; Richter R Phys Chem Chem Phys; 2022 Aug; 24(32):19302-19313. PubMed ID: 35929445 [TBL] [Abstract][Full Text] [Related]
10. Mechanism of NO photodissociation in photolabile manganese-NO complexes with pentadentate N5 ligands. Merkle AC; Fry NL; Mascharak PK; Lehnert N Inorg Chem; 2011 Dec; 50(23):12192-203. PubMed ID: 22040173 [TBL] [Abstract][Full Text] [Related]
11. Environment Effects on X-Ray Absorption Spectra With Quantum Embedded Real-Time Time-Dependent Density Functional Theory Approaches. De Santis M; Vallet V; Gomes ASP Front Chem; 2022; 10():823246. PubMed ID: 35295974 [TBL] [Abstract][Full Text] [Related]
12. Intramolecular electronic communication in a dimethylaminoazobenzene-fullerene C60 dyad: an experimental and TD-DFT study. Kumar KS; Patnaik A J Comput Chem; 2010 Apr; 31(6):1182-94. PubMed ID: 19827143 [TBL] [Abstract][Full Text] [Related]
13. Manganese K-edge X-ray absorption spectroscopy as a probe of the metal-ligand interactions in coordination compounds. Roemelt M; Beckwith MA; Duboc C; Collomb MN; Neese F; DeBeer S Inorg Chem; 2012 Jan; 51(1):680-7. PubMed ID: 22145735 [TBL] [Abstract][Full Text] [Related]
14. Carbon and Nitrogen K-Edge NEXAFS Spectra of Indole, 2,3-Dihydro-7-azaindole, and 3-Formylindole. Ponzi A; Bernes E; Toffoli D; Fronzoni G; Callegari C; Ciavardini A; Di Fraia M; Richter R; Prince KC; Sa'adeh H; Devetta M; Faccialà D; Vozzi C; Avaldi L; Bolognesi P; Castrovilli MC; Catone D; Coreno M; Plekan O J Phys Chem A; 2021 May; 125(19):4160-4172. PubMed ID: 33961434 [TBL] [Abstract][Full Text] [Related]
15. A new parameterization of the DFT/CIS method with applications to core-level spectroscopy. Mandal A; Berquist EJ; Herbert JM J Chem Phys; 2024 Jul; 161(4):. PubMed ID: 39051834 [TBL] [Abstract][Full Text] [Related]
16. Using solution- and solid-state S K-edge X-ray absorption spectroscopy with density functional theory to evaluate M-S bonding for MS4(2-) (M = Cr, Mo, W) dianions. Olson AC; Keith JM; Batista ER; Boland KS; Daly SR; Kozimor SA; MacInnes MM; Martin RL; Scott BL Dalton Trans; 2014 Dec; 43(46):17283-95. PubMed ID: 25311904 [TBL] [Abstract][Full Text] [Related]
17. Mechanism of L Maganas D; Kowalska JK; Van Stappen C; DeBeer S; Neese F J Chem Phys; 2020 Mar; 152(11):114107. PubMed ID: 32199419 [TBL] [Abstract][Full Text] [Related]
18. Sensitive valence structures of [(pap)(2)Ru(Q)](n) (n = +2, +1, 0, -1, -2) with two different redox noninnocent ligands, Q = 3,5-Di-tert-butyl-N-aryl-1,2-benzoquinonemonoimine and pap = 2-phenylazopyridine. Das D; Mondal TK; Mobin SM; Lahiri GK Inorg Chem; 2009 Oct; 48(20):9800-10. PubMed ID: 19769396 [TBL] [Abstract][Full Text] [Related]
19. Characterization of charge transfer excitations in hexacyanomanganate(III) with Mn K-edge resonant inelastic x-ray scattering. Meyer DA; Zhang X; Bergmann U; Gaffney KJ J Chem Phys; 2010 Apr; 132(13):134502. PubMed ID: 20387936 [TBL] [Abstract][Full Text] [Related]
20. Photodissociation of Co-C bond in methyl- and ethylcobalamin: an insight from TD-DFT calculations. Lodowski P; Jaworska M; Andruniów T; Kumar M; Kozlowski PM J Phys Chem B; 2009 May; 113(19):6898-909. PubMed ID: 19374399 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]