ARTICLE
|
doi:10.20944/preprints201809.0547.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
ice X; vibrational spectrum; first-principles DFT; Raman scattering; IR absorption
Online: 27 September 2018 (13:25:06 CEST)
ARTICLE
|
doi:10.20944/preprints202009.0763.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
ab initio; sulphur dioxide; ozone; dimers; complexes; structures; vibrational spectra.
Online: 30 September 2020 (18:36:52 CEST)
ARTICLE
|
doi:10.20944/preprints202309.1524.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
1,2,3-triazoles; antioxidant; lanthanum; vibrational analysis; scaling
Online: 22 September 2023 (09:20:38 CEST)
ARTICLE
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
positron; model potential; wavepacket propagation; vibrational cross section
Online: 7 September 2021 (12:00:07 CEST)
ARTICLE
|
doi:10.20944/preprints202403.1737.v1
Subject:
Medicine And Pharmacology,
Obstetrics And Gynaecology
Keywords:
Obstetrics and gynecology; Vibrational spectroscopy; Bioanalytical chemistry; Artificial intelligence
Online: 29 March 2024 (05:22:21 CET)
ARTICLE
|
doi:10.20944/preprints202401.0798.v1
Subject:
Medicine And Pharmacology,
Medicine And Pharmacology
Keywords:
cerium(III) complex; 1,2,3-triazoles; scaling; vibrational analysis; antioxidant activity
Online: 10 January 2024 (10:26:53 CET)
ARTICLE
|
doi:10.20944/preprints202308.1019.v1
Subject:
Medicine And Pharmacology,
Pharmacy
Keywords:
1,2,3-triazoles; anti-cancer drugs; vibrational analysis; scaling; dimer calculation
Online: 14 August 2023 (10:36:19 CEST)
ARTICLE
|
doi:10.20944/preprints201812.0101.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
Vibrational spectroscopy; Matched filter; Signal processing; Density functional theory; Anharmonicity
Online: 10 December 2018 (12:41:14 CET)
ARTICLE
|
doi:10.20944/preprints201809.0560.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
Schrödinger equation; vibrational spectrum; collocation; inverse multiquadratic function; rectangular matrix
Online: 28 September 2018 (10:15:42 CEST)
ARTICLE
|
doi:10.20944/preprints201806.0418.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
ice XIV; vibrational spectrum; hydrogen bond; CASTEP, first-principles; DFT
Online: 26 June 2018 (12:44:03 CEST)
ARTICLE
|
doi:10.20944/preprints201805.0206.v1
Subject:
Chemistry And Materials Science,
Inorganic And Nuclear Chemistry
Keywords:
crystal structure; ammine complex; structure determination; ammonia storage; vibrational spectroscopy
Online: 15 May 2018 (06:33:41 CEST)
ARTICLE
|
doi:10.20944/preprints202209.0331.v2
Subject:
Physical Sciences,
Mathematical Physics
Keywords:
Ramsey theory; complete graph; vibrational spectrum; eigenfrequency; selection rule; cyclic molecule; viscoelasticity; entropic elasticity
Online: 16 February 2023 (09:55:15 CET)
ARTICLE
|
doi:10.20944/preprints202111.0251.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
delocalization; tunneling; terpene; alcohol; vibrational spectroscopy; supersonic jet expansion; structural determination
Online: 15 November 2021 (11:12:09 CET)
REVIEW
|
doi:10.20944/preprints201808.0092.v1
Subject:
Physical Sciences,
Quantum Science And Technology
Keywords:
quantum ergodicity; vibrational state space; local random matrix theory; many body localization
Online: 5 August 2018 (11:55:27 CEST)
BRIEF REPORT
|
doi:10.20944/preprints202405.2080.v1
Subject:
Physical Sciences,
Mathematical Physics
Keywords:
Kratzer potential; screened Kratzer potential; vibrational-rotational spectrum; dissociation energy; equilibrium bond length
Online: 31 May 2024 (10:01:10 CEST)
ARTICLE
|
doi:10.20944/preprints202402.0547.v1
Subject:
Engineering,
Transportation Science And Technology
Keywords:
HSR; railway; ground‐borne vibrations; vibrational‐emissions; prediction; FEM; numerical modelling; computational contacts
Online: 9 February 2024 (10:54:22 CET)
ARTICLE
|
doi:10.20944/preprints202106.0140.v2
Subject:
Physical Sciences,
Acoustics
Keywords:
aqueous electrolyte solution; UHF wave; polarization direction; Debye ionic vibrational potential; giant relaxation time
Online: 9 December 2021 (13:17:07 CET)
ARTICLE
Subject:
Environmental And Earth Sciences,
Atmospheric Science And Meteorology
Keywords:
statistical mechanics, partition functions, translational entropy, rotational entropy, vibrational entropy, Gibbs and Helmholtz energies,
Online: 25 March 2019 (11:42:11 CET)
ARTICLE
|
doi:10.20944/preprints202312.0833.v1
Subject:
Chemistry And Materials Science,
Physical Chemistry
Keywords:
Quasiclassical trajectory (QCT) method; state-resolved rate constants; hydrogen; atom-molecule collisions; dissociation; vibrational energy relaxation
Online: 13 December 2023 (06:16:12 CET)
ARTICLE
|
doi:10.20944/preprints202107.0462.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
London dispersion; ketone complexes; density functional theory; hydrogen bonds; molecular recognition; vibrational spectroscopy; gas phase; benchmark
Online: 20 July 2021 (16:06:47 CEST)
ARTICLE
|
doi:10.20944/preprints201704.0010.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
PLA; fused deposition modeling (FDM); surface characterization; vibrational spectroscopy; laser confocal microscopy; X-ray photoelectron spectroscopy
Online: 3 April 2017 (17:34:40 CEST)
ARTICLE
|
doi:10.20944/preprints202009.0643.v1
Subject:
Chemistry And Materials Science,
Analytical Chemistry
Keywords:
dispersion; ketone-alcohol complexes; density functional theory; hydrogen bonds; molecular recognition; vibrational spectroscopy; gas phase; benchmark; pinacolone
Online: 26 September 2020 (14:57:33 CEST)
ARTICLE
|
doi:10.20944/preprints201811.0057.v1
Subject:
Physical Sciences,
Atomic And Molecular Physics
Keywords:
precision measurements; fundamental constants; variation of constants; proton-to-electron mass ratio; molecular ions; forbidden transition; two-photon transition; vibrational overtone
Online: 2 November 2018 (12:58:06 CET)
CONCEPT PAPER
|
doi:10.20944/preprints202103.0350.v1
Subject:
Chemistry And Materials Science,
Biomaterials
Keywords:
carbyne-enriched nanostructured metamaterials; sp1-hybridized bonds; carbon atomic wires; ion-assisted pulsed-plasma deposition; nanocavities; cluster-assembling; vibration-assisted growing; acoustic activation; vibrational patterns; electromagnetic activation; self-organizing of the nanostructures; nano-cymatics; controlled patterning; synergistic effect
Online: 12 March 2021 (20:07:52 CET)