Hydrogen atom

The green production of hydrogen peroxide has attracted considerable attention owing to the urge for an alternative production method to the current production. Electrocatalytic reduction via the 2e- pathway has emerged as the brightest approach.

6p vikwong 29-09-2024 2 1   Download

Protein is composed of amino acids which are, in turn, made up of mostly carbon, hydrogen, oxygen, nitrogen. A protein structure consists of thousands of coordinates of its atoms. Building structure index tables (often organized by suffix trees or arrays) of proteins is an important phase for quickly searching or classifying protein structures.

12p tamynhan8 04-11-2020 11 1   Download

This work presents an analytic methodology to produce such a covariance matrix-associated to the water model developed at the Atomic Center of Bariloche (Centro Atomico Bariloche, CAB, Argentina).

13p christabelhuynh 29-05-2020 4 1   Download

Cấu trúc bài báo gồm ba phần chính: Phần thứ nhất giới thiệu FK-OM và áp dụng cho bài toán nguyên tử hydro trong từ trường có cường độ bất kì; phần thứ hai trình bày kết quả thu được và thảo luận; phần cuối cùng là kết luận và dự kiến phát triển của đề tài.

13p bautroibinhyen16 09-02-2017 61 4   Download

Quantum Mechanics and the Hydrogen Atom, Many-Electron Atoms and Chemical Bonding, Molecular Orbitals, Spectroscopy, and Chemical Bonding,... as the main contents of the lesson lecture 9 "Tentative material to be covered for Exam 2". Invite you to consult the lesson for more documents serving the academic needs and research.

38p nguyenphong201 11-12-2015 35 2   Download

The complexes of acidic quinine solution with acidic solutions of sulfate-salts of Fe, Zn and Ce have been synthesized. Bonds of Fe-O, Zn-O and Ce-O were formed via the hydroxyl oxygen atom with a preservation of hydrogen bond and have been proved by the infrared spectroscopy.

5p uocvong04 24-09-2015 50 4   Download

The complexation of E- and Z-enolborinate E, Z with acetaldehyde R should be proceed via two types: the fisrt, anti-complexation, leading to two types of complexes. The second, syncomplexation, leading only to one type of complexes. In addition, one of two complexes of the anti-complexation have intramolecular hydrogen-bonding between formyl hydrogen on R with oxygen atom on E, Z. The complexes containing intramolecular hydrogen-bonding are the most stables in comparison with the others.

5p uocvong04 24-09-2015 61 3   Download

Many biological C-H activation reactions exhibit nonclassical kinetic isotope effects (KIEs). These nonclassical KIEs are too large (kH/kD 7) and/or exhibit unusual temperature dependence such that the Arrhenius prefactor KIEs (AH/AD) fall outside of the semiclassical range near unity. The focus of this minireview is to discuss such KIEs within the context of the environmentally coupled hydrogen tunneling model.

9p system191 01-06-2013 37 4   Download

A structuring and eventual exclusion of water surrounding backbone hydrogen bonds takes place during protein fold-ing as hydrophobic residues cluster around such bonds. Taken as an average over all hydrogen bonds, the extent of desolvation is nearly a constant of motion, as revealed by re-examination of the longest all-atom trajectory with explicit solvent [Y.Duan & P.A.Kollman (1998)Science 282, 740].Furthermore, this extent of desolvation is pre-served across native soluble proteins, except for cellular prion proteins....

4p research12 23-04-2013 32 2   Download

Galloylated and nongalloylated catechin conjugates with cysteine deriva-tives have been synthesized and evaluated for their capacity to scavenge free radicals and to influence crucial functions (cell cycle, apoptosis) in HT29 colon carcinoma cells. We show that the nonphenolic part of the molecule modified the capacity of catechins to donate hydrogen atoms and to transfer electrons to free radicals.

12p inspiron33 26-03-2013 34 4   Download

Prediction and understanding of the folding and stability of the 3D struc-ture of proteins is still a challenge. The different atomic interactions, such as non polar contacts and hydrogen bonding, are known but their exact relative weights and roles when contributing to protein folding and stability are not identified.

17p cosis54 08-12-2012 42 2   Download

Drug-Receptor Interaction partial charges. When a hydrogen atom bearing a partial positive charge bridges two atoms bearing a partial negative charge, a hydrogen bond is created. A van der Waals’ bond (B) is formed between apolar molecular groups that have come into close proximity. Spontaneous transient distortion of electron clouds (momentary faint dipole, !!) may induce an opposite dipole in the neighboring molecule. The van der Waals’ bond, therefore, is a form of electrostatic attraction, albeit of very low strength (inversely proportional to the seventh power of the distance).

12p bigbaby87 04-09-2010 115 12   Download