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.
4. Combination of transient 2D-IR experiments and ab initio computations sheds light on the formation of the charge-transfer state in photoexcited carbonyl carotenoids. Di Donato M; Segado Centellas M; Lapini A; Lima M; Avila F; Santoro F; Cappelli C; Righini R J Phys Chem B; 2014 Aug; 118(32):9613-30. PubMed ID: 25050938 [TBL] [Abstract][Full Text] [Related]
6. Excited-state minima and emission energies of retinal chromophore analogues: Performance of CASSCF and CC2 methods as compared with CASPT2. Szefczyk B; Grabarek D; Walczak E; Andruniów T J Comput Chem; 2017 Jul; 38(20):1799-1810. PubMed ID: 28512740 [TBL] [Abstract][Full Text] [Related]
7. Toward an Accurate Khokhlov D; Belov A J Chem Theory Comput; 2021 Jul; 17(7):4301-4315. PubMed ID: 34125516 [TBL] [Abstract][Full Text] [Related]
8. Ab initio quantum study of nonadiabatic S(1)-S(2) photodynamics of s-trans-butadiene. Komainda A; Ostojić B; Köppel H J Phys Chem A; 2013 Sep; 117(36):8782-93. PubMed ID: 23834412 [TBL] [Abstract][Full Text] [Related]
9. On the ordering of the first two excited electronic states in all-trans linear polyenes. Catalán J; de Paz JL J Chem Phys; 2004 Jan; 120(4):1864-72. PubMed ID: 15268319 [TBL] [Abstract][Full Text] [Related]
10. A CASSCF and CASPT2 study on the excited states of s-trans-formaldazine. Luo C; Duan XM; Liu JY; Li ZS J Phys Chem A; 2008 Sep; 112(38):8979-85. PubMed ID: 18759422 [TBL] [Abstract][Full Text] [Related]
11. Low-Lying Excited States of Natural Carotenoids Viewed by Khokhlov D; Belov A J Phys Chem A; 2022 Jul; 126(27):4376-4391. PubMed ID: 35767689 [TBL] [Abstract][Full Text] [Related]
12. A Local Diabatisation Method for Two-State Adiabatic Conical Intersections. Vandaele E; Mališ M; Luber S J Chem Theory Comput; 2024 Jan; 20(2):856-872. PubMed ID: 38174710 [TBL] [Abstract][Full Text] [Related]
13. Avoided crossings, conical intersections, and low-lying excited states with a single reference method: the restricted active space spin-flip configuration interaction approach. Casanova D J Chem Phys; 2012 Aug; 137(8):084105. PubMed ID: 22938216 [TBL] [Abstract][Full Text] [Related]
14. Low-lying electronic states and their nonradiative deactivation of thieno[3,4-b]pyrazine: an ab initio study. Guo X; Cao Z J Chem Phys; 2012 Dec; 137(22):224313. PubMed ID: 23249009 [TBL] [Abstract][Full Text] [Related]
15. Multireference calculations of the fluorescence, phosphorescence and photodissociation of p-chlorotoluene. Liu YJ; Lunell S Phys Chem Chem Phys; 2005 Dec; 7(23):3938-42. PubMed ID: 19810322 [TBL] [Abstract][Full Text] [Related]
16. Role of the Dark 2A Ren J; Peng Q; Zhang X; Yi Y; Shuai Z J Phys Chem Lett; 2017 May; 8(10):2175-2181. PubMed ID: 28459584 [TBL] [Abstract][Full Text] [Related]
17. α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces. Snyder JW; Parrish RM; Martínez TJ J Phys Chem Lett; 2017 Jun; 8(11):2432-2437. PubMed ID: 28513165 [TBL] [Abstract][Full Text] [Related]
18. A SA-CASSCF and MS-CASPT2 study on the electronic structure of nitrosobenzene and its relation to its dissociation dynamics. Soto J; Peláez D; Otero JC J Chem Phys; 2021 Jan; 154(4):044307. PubMed ID: 33514099 [TBL] [Abstract][Full Text] [Related]
19. Excited states of thiophene: ring opening as deactivation mechanism. Salzmann S; Kleinschmidt M; Tatchen J; Weinkauf R; Marian CM Phys Chem Chem Phys; 2008 Jan; 10(3):380-92. PubMed ID: 18174980 [TBL] [Abstract][Full Text] [Related]
20. Vibrational Relaxation in Carotenoids as an Explanation for Their Rapid Optical Properties. Götze JP J Phys Chem B; 2019 Mar; 123(10):2203-2209. PubMed ID: 30779570 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]