Results 71 to 80 of about 5,171,280 (369)

A forecast for theoretical chemistry [PDF]

open access: yesJournal of Chemical Education, 1966
This award address for the Peter Debye Award in physical chemistry focusses on the past, present, and future of quantum mechanics.
openaire   +2 more sources

Machine learning for identifying liver and pancreas cancers through comprehensive serum glycopeptide spectra analysis: a case‐control study

open access: yesMolecular Oncology, EarlyView.
This study presents a novel AI‐based diagnostic approach—comprehensive serum glycopeptide spectra analysis (CSGSA)—that integrates tumor markers and enriched glycopeptides from serum. Using a neural network model, this method accurately distinguishes liver and pancreatic cancers from healthy individuals.
Motoyuki Kohjima   +6 more
wiley   +1 more source

Synthesis, spectroscopic investigation, molecular docking and DFT studies of novel (2Z,4Z)-2,4-bis(4-chlorobenzylidene)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (BCOPCA)

open access: yesHeliyon, 2018
The synthesized compound (2Z,4Z)-2,4-bis(4-chlorobenzylidene)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (BCOPCA) was characterised by Ultraviolet, FT-Infra Red, 1H, 13C Nuclear Magnetic Resonance and mass spectroscopy.
Poornima Devi   +5 more
doaj  

Challenges in Simulating Light-Induced Processes in DNA

open access: yesMolecules, 2016
In this contribution, we give a perspective on the main challenges in performing theoretical simulations of photoinduced phenomena within DNA and its molecular building blocks.
Philipp Marquetand   +4 more
doaj   +1 more source

Theoretical Chemistry of Atmospheric Processes

open access: yesAtmosphere, 2022
Atmospheric chemistry occurs within a fabric of profoundly complicated dynamics through several atmospheric layers [...]
Luís Pedro Viegas
doaj   +1 more source

Bases of inorganic and organic chemistry [PDF]

open access: yes, 2016
Stated fundamental theoretical principles of general, inorganic and organic chemistry and analyzed the reactivity of the most important classes of inorganic and organic substances. A multivariate tasks and exercises for classroom and independent work are
Alami, D., Slavkova, M., Ved, M.
core  

Interferometric Observations of Formaldehyde in the Protoplanetary Disk around LkCa15 [PDF]

open access: yes, 2002
Emission from the $2_{12}-1_{11}$ line of H$_2$CO has been detected and marginally resolved toward LkCa15 by the Nobeyama Millimeter Array. The column density of H$_2$CO is higher than that observed in DM Tau and than predicted by theoretical models of ...
Aikawa, Yuri   +6 more
core   +6 more sources

Theoretical Organic Chemistry [PDF]

open access: yesNature, 1943
THIS “entirely revised edition” retains many of the features which characterized the earlier editions. The rapid growth of organic chemistry, however, makes the task of the reviser ever more difficult, and although an earnest attempt has undoubtedly been made to bring this 'classic' up to date by the addition of new chapters, after forty years surely ...
openaire   +1 more source

Long non‐coding RNAs as therapeutic targets in head and neck squamous cell carcinoma and clinical application

open access: yesFEBS Open Bio, EarlyView.
Long non‐coding RNAs (lncRNAs) occupy an abundant fraction of the eukaryotic transcriptome and an emerging area in cancer research. Regulation by lncRNAs is based on their subcellular localization in HNSCC. This cartoon shows the various functions of lncRNAs in HNSCC discussed in this review.
Ellen T. Tran   +3 more
wiley   +1 more source

Quantum dynamical study of rotational excitations in SiS (X 1Σ+) molecule by H collisions

open access: yesHeliyon, 2019
The knowledge of accurate rate coefficients for collisional excitation of molecules by the abundant chemical species like He, H2 and H is important in modeling the conditions of interstellar medium.
Bhargava Anusuri
doaj  

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