ARTICLE
|
doi:10.20944/preprints202302.0116.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
density functional theory; information theory; excited-state polarizability; ESIPT (excited-state intramolecular proton transfer)
Online: 7 February 2023 (03:18:55 CET)
ARTICLE
|
doi:10.20944/preprints202007.0631.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
room temperature phosphorescence; organic molecule; excited state dynamics; time-resolved photoluminescence spectroscopy; photostability
Online: 26 July 2020 (02:44:23 CEST)
ARTICLE
|
doi:10.20944/preprints202304.0894.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
excited state intramolecular proton transfer; structural dynamics; transient absorption; femtosecond fluorescence up-conversion; femtosecond stimulated Raman spectroscopy
Online: 25 April 2023 (07:10:11 CEST)
COMMUNICATION
|
doi:10.20944/preprints202212.0261.v1
Subject:
Environmental And Earth Sciences,
Geophysics And Geology
Keywords:
Active remote sensing; Sequential rotationally excited; Circularly Polarized; GPR; SNR
Online: 15 December 2022 (03:03:26 CET)
ARTICLE
|
doi:10.20944/preprints202408.2013.v1
Subject:
Astronomy And Astrophysics,
Physical Sciences
Keywords:
astrochemistry; C20 fullerene; Ionisation; excited state; DFT; planetary nebulae
Online: 28 August 2024 (05:16:53 CEST)
ARTICLE
|
doi:10.20944/preprints202408.0791.v1
Subject:
Physical Sciences,
Quantum Science And Technology
Keywords:
computational quantum chemistry, polar diatomic molecules, electronically excited states, coupled-cluster theory
Online: 12 August 2024 (11:44:06 CEST)
ARTICLE
|
doi:10.20944/preprints202106.0498.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
azobenzene; transition density matrix; exciton; charge transfer; excited states; TD-DFT; ADC(2)
Online: 21 June 2021 (10:20:13 CEST)
ARTICLE
|
doi:10.20944/preprints201707.0059.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
open-cyclic tautomers; molecular switching; decay-associated spectra; warfarin; excited-state lifetime; cyclodextrins
Online: 21 July 2017 (04:56:54 CEST)
ARTICLE
|
doi:10.20944/preprints202404.1296.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
benzil; 2,2´-furil; nanosecond laser flash photolysis; triplet excited state; ionic liquids; phenolic hydrogen abstraction
Online: 19 April 2024 (10:55:26 CEST)
ARTICLE
|
doi:10.20944/preprints202311.1080.v1
Subject:
Chemistry And Materials Science,
Nanotechnology
Keywords:
UV-C cathodoluminescence; X-ray excited luminescence; LaPO4; Pr3+; hydrothermal conditions; microwave heating; colloidal solution; ultramicroscopy
Online: 16 November 2023 (11:14:38 CET)
ARTICLE
|
doi:10.20944/preprints202307.0329.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
permanent magnet excited homopolar inductor alternator; optimization method for minimum mass; air-gap winding; unit number
Online: 6 July 2023 (07:36:59 CEST)
ARTICLE
|
doi:10.20944/preprints202011.0047.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
Photodynamic Therapy; Charge Transfer; Electronically Excited States; Anthraquinone; DNA; Molecular Dynamics; TD-DFT; Transition-Density Analysis
Online: 2 November 2020 (14:15:09 CET)
ARTICLE
|
doi:10.20944/preprints202201.0374.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
dual-rotor; modular-stator; hybrid-excited; axial-flux permanent magnet vernier machine; 3-D finite-element method
Online: 25 January 2022 (09:56:20 CET)
ARTICLE
|
doi:10.20944/preprints202402.1439.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
Energy Efficiency; Micro-hydropower; Pump-as-turbine (PAT); Off-grid; Self-excited Induction Generator (SEIG); Water-energy Nexus
Online: 26 February 2024 (11:48:02 CET)
ARTICLE
|
doi:10.20944/preprints202312.1956.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Photocatalytic CO2 reduction; DFT/TDDFT; Pt(II) pincer complexes; T1 excited state electrochemistry, CO2 fixation/activation by Pt
Online: 28 December 2023 (02:09:16 CET)
ARTICLE
|
doi:10.20944/preprints201911.0103.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
cross sections; molecular beam scattering; charge trasfer; coupled cluster; excited states; ionization potential; electron affinity; interaction potential; stereoselectivity
Online: 10 November 2019 (09:53:18 CET)
ARTICLE
|
doi:10.20944/preprints201812.0121.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
one-center method, molecular orbital, higher harmonics, excited state, ionized state, linear molecule, hydrogen fluoride, lithium monofluoride, boron monofluoride
Online: 11 December 2018 (09:37:53 CET)
ARTICLE
|
doi:10.20944/preprints202307.0483.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
(Hyper)polarizability; Density Functional Theory; Molecular Switches; Photochromism; Two-Photon absorption; Dithienylethene; bis(ethylene-1,2-dithiolato; Excited-state Energy Transfer
Online: 7 July 2023 (10:49:58 CEST)
ARTICLE
|
doi:10.20944/preprints202301.0410.v1
Subject:
Engineering,
Electrical And Electronic Engineering
Keywords:
electrically excited synchronous machine; Nelder–Mead method; optimal design of electric machines; synchronous homopolar generator; synchronous homopolar machine; undercar generator
Online: 23 January 2023 (10:35:36 CET)
ARTICLE
|
doi:10.20944/preprints202212.0530.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
generalized relativistic pseudopotentials; molecular integrals; Gaussian basis functions; relativistic coupled cluster theory; excited states; heavy-element compounds; high-precision electronic structure modeling; thorium oxide; uranium dioxide.
Online: 28 December 2022 (07:57:51 CET)