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Synonyms were used for: Chemistry
Search without synonyms: International Journal of New Chemistry
Used synonyms:
- allgemeine chemie
- chemie
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The Identity and Chemistry of C7H7 Radicals Observed during Soot Formation
American Chemical Society | 2023|associated with particle formation in premixed flames and during pyrolysis of butane, ethylene, and methane. We analyzed photoionization (PI) spectra ... -
High-Pressure Chemistry of Graphene Oxide in the Presence of Ar, N2, and NH3
American Chemical Society | 2016|the high-pressure chemistry of GO and carbon-based nanostructured systems. ... -
Tuning Methane Activation Chemistry on Alkaline Earth Metal Oxides by Doping
American Chemical Society | 2018|alkaline earth metal (AEM) different from that of the host oxide. We assess whether doping can lead to new materials that are better than the pure ... -
Encapsulation of the Sulfur Compounds by Cucurbit[7]uril: A Quantum Chemistry Study
American Chemical Society | 2018|the cucurbiturils can be a new class of host molecules to be used in the removal of S-compounds from petroleum derivatives. Finally, a ... -
NMR and Quantum Chemistry Study of Mesoscopic Effects in Ionic Liquids
American Chemical Society | 2010|changes upon heating and dilution in water. It disappears at ca. 353 K and in the aqueous solution below ca. 0.1 mol fraction of RTIL. Several new ... -
Host−Guest Chemistry and Physicochemical Properties of the Dendrimer−Mycophenolic Acid Complex
American Chemical Society | 2009|of the dendrimer−MPA complexes. These results showed that the host−guest chemistry of dendrimer−MPA complexes proposed by NMR techniques ... -
Perspective on Simplified Quantum Chemistry Methods for Excited States and Response Properties
American Chemical Society | 2021|We review recent developments in the framework of simplified quantum chemistry for excited state and optical response properties (sTD
... -
tert-Butanol Chemistry on Rutile TiO2(110): The Effect of Surface Oxidation
American Chemical Society | 2022|We have studied the surface chemistry of tert-butanol ((CH3)3COH) on reduced and
... -
Quantum Diffusion-Controlled Chemistry: Reactions of Atomic Hydrogen with Nitric Oxide in Solid Parahydrogen
American Chemical Society | 2015|-phase reactions of atomic hydrogen with various reaction partners. Guided by the well-defined studies of cold atom chemistry in rare-gas solids ... -
New Insights into the Mechanism of Visible Light Photocatalysis
American Chemical Society | 2014|recent years, the area of developing visible-light-active photocatalysts based on titanium dioxide has been enormously investigated due to its ... -
The Early Era of Laser-Selective Chemistry 1960∼1985: Roots of Modern Quantum Control
American Chemical Society | 2023|efforts opened the doors to a new, broader scientific field of research called quantum control which developed in the Modern Era, defined as 1985 ... -
The Exciting Chemistry of 1,1-Diamino-2,2-dinitroethene and 1‑Amino-1-hydrazino-2,2-dinitroethene
American Chemical Society | 2017|isocyanic acid HNCO. New derivatives of FOX-7 and its hydrazine analogue 1-amino-1-hydrazino-2,2-dinitroethene, as well as unusual potassium salts ... -
Development of New Transferable Coarse-Grained Models of Hydrocarbons
American Chemical Society | 2018|the development of coarse-grained (CG) models of hydrocarbons. Specifically, we have developed new transferable CG beads, which can be used to ... -
Rhodizonic Acid on Noble Metals: Surface Reactivity and Coordination Chemistry
American Chemical Society | 2013|chemistry, two-dimensional structures of rhodizonic acid were stabilized under ultrahigh vacuum on Au(111) and Cu(111) surfaces. Scanning tunneling ... -
Toward Strong Field Mode-Selective Chemistry
American Chemical Society | 1999|We demonstrate a new method for coherent control of bond excitation in the strong field regime. We can selectively excite one or more
... -
Electron Pair Repulsion Responsible for the Peculiar Edge Effects and Surface Chemistry of Black Phosphorus
American Chemical Society | 2018|of the armchair edges do experience the Coulomb repulsion. The Coulomb repulsion serves as a new chemical driving force to make electron ... -
Impact of Quantum Chemistry Parameter Choices and Cluster Distribution Model Settings on Modeled Atmospheric Particle Formation Rates
American Chemical Society | 2020|We tested the influence of various parameters on the new particle formation rate predicted for the sulfuric acid–ammonia system using
... -
Atmospheric Chemistry of Enols: The Formation Mechanisms of Formic and Peroxyformic Acids in Ozonolysis of Vinyl Alcohol
American Chemical Society | 2020|compound. This special mechanism by providing a new source of peroxy acids in the atmosphere enriches the atmospheric chemistry of enols. The ... -
Uncovering the Fundamental Chemistry of Alkyl + O2 Reactions via Measurements of Product Formation
American Chemical Society | 2006|chemistry, hydrocarbon flames, and autoignition phenomena. The fundamental kinetics of the R + O2 reactions is governed by a rich ... -
Gas-Phase Ion Chemistry of BF3/NH3 Mixtures
American Chemical Society | 2006|The gas-phase ion chemistry of BF3/NH3 mixtures was investigated by the joint application of mass-spectrometric
... -
New Insights into the Photophysics of DNA Nucleobases
American Chemical Society | 2016|report the results of an extended time-resolved study of DNA nucleobases in aqueous solutions conducted in the deep UV using broad-band ... -
Pseudopeptide Designed to Inhibit Oligomerization and Redox Chemistry in Alzheimer’s Disease
American Chemical Society | 2019|breaking the self-aggregation of Aβ, are attached to each other to form a new pseudopeptide (TGC1) in this study. Using a combination of density ... -
Progress in the Theory of X‑ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics
American Chemical Society | 2021|)resonant emission (XES and RXES/RIXS) spectroscopies have had far-reaching effects across the natural sciences. However, new kinds of experiments ... -
Sensitive Mass Spectrometer for Time-Resolved Gas-Phase Chemistry Studies at High Pressures
American Chemical Society | 2019|We report a new experimental apparatus for direct time-resolved probing of high-pressure gas-phase chemical reactions by photoionization
... -
MXene: A New Family of Promising Hydrogen Storage Medium
American Chemical Society | 2013|work, using density functional calculations, we systematically investigated the hydrogen storage properties of the two-dimensional (2D ... -
Unusual Chemistry of the C–H–N–O System under Pressure and Implications for Giant Planets
American Chemical Society | 2021|of all known life, but the chemistry of this system at high pressures and temperatures of planetary interiors is poorly known. Using ... -
Using Constrained Schrödinger Equations to Separate Resonant and Inductive Substituent Effects: A New Methodology for Parametrizing Simple Models in Chemistry
American Chemical Society | 2003|[2.2.2]octanes and benzenes. The comparison is made within a consistent model chemistry, as defined by the use of an STO-3G basis and inclusion ... -
The Surface Chemistry of Au Colloids and Their Interactions with Functional Amino Acids
American Chemical Society | 2004|., alkanethiols and amino acids. The surface chemistry of particulate Au is dominated by electrodynamic factors related to its (negative) surface charge ... -
Factors Controlling the Spectroscopic Properties and Supramolecular Chemistry of an Electron Deficient 5,5-Dimethylphlorin Architecture
American Chemical Society | 2014|new 5,5-dimethylphlorin derivative (3H(PhlCF3 )) was prepared and studied through a ... -
Multi-Coefficient Correlation Method for Quantum Chemistry
American Chemical Society | 1999|We present a new method for extrapolating correlated electronic structure calculations based on correlation-consistent polarized double
... -
Visualizing On-Surface Decomposition Chemistry at the Nanoscale Using Tip-Enhanced Raman Spectroscopy
American Chemical Society | 2022|Chemical imaging of molecular decomposition processes at solid–liquid interfaces is a long-standing problem in achieving mechanistic
... -
Surface Chemistry of Organic Pollutants: Styrene, Ozone, and Water on TiO2(110)
American Chemical Society | 2009|the result of surface-mediated decomposition of ozone into adsorbed O adatoms. Our results suggest that the heterogeneous thermal chemistry of ... -
New High Pressure Phases of the Zn–N System
American Chemical Society | 2020|The high pressure phase diagram of the Zn–N system is enriched by structural searching methods. Nine energetically stable phases with
... -
The Reaction NCN + H2: Quantum Chemical Calculations, Role of 1NCN Chemistry, and 3NCN Absorption Cross Section
American Chemical Society | 2020|modeling study, the so far neglected reaction NCN + H2 and the related chemistry of the main product HNCN turned out to be significant ... -
Assessing the Accuracy of New Geminal-Based Approaches
American Chemical Society | 2014|product of 1-reference-orbital geminals (AP1roG) and its orbital-optimized variant (OO-AP1roG) are assessed against standard quantum chemistry ... -
Atomic-Level Features for Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics Simulations
American Chemical Society | 2021|models, which can be parameterized from molecular dynamics (MD) simulations of the complex chemistry of thousands of species or other processes ... -
Pathways for the Formation of Formamide, a Prebiotic Biomonomer: Metal-Ions in Interstellar Gas-Phase Chemistry
American Chemical Society | 2021|The chemistry occurring in the interstellar medium (ISM) is an active area of contemporary research. New aspects of interstellar
... -
Structure of 1-Butylpyridinium Tetrafluoroborate Ionic Liquid: Quantum Chemistry and Molecular Dynamic Simulation Studies
American Chemical Society | 2010|physicochemical properties of [BPy+][BF4 −] IL and further designing new pyridinium-based ILs. ... -
New Generation of Zeolite Materials for Environmental Applications.
American Chemical Society | 2016|influence of the morphology (microcrystals, nanocrystals, nanosponges and nanosheets) of MFI and *BEA-type zeolites on their adsorption capacities ... -
Promising Piezoelectric Properties of New ZnO@Octadecylamine Adduct
American Chemical Society | 2015|dispersion of the ZnO@ODA adduct was obtained and characterized by means of thermogravimetric analysis and infrared and Raman spectroscopy. Then, the ... -
New Way for Probing Bond Strength
American Chemical Society | 2020|of chemists (organic, inorganic chemistry, including transition-metal complexes and reaction mechanisms). ... -
Computational Discovery of New Zeolite-Like Materials
American Chemical Society | 2009|present a database of computationally predicted zeolite-like materials. The materials were identified by a Monte Carlo search of Si atom positions ... -
Chemistry of Functionalized Reactive Organic Intermediates in the Earth’s Atmosphere: Impact, Challenges, and Progress
Free accessAmerican Chemical Society | 2021|promise for providing) new insights into their atmospheric chemistry. The continued use and development of such techniques and the close ... -
New Melting Data of the Two Polymorphs of Prednisolone
American Chemical Society | 2016|both polymorphs. This consistent set of new thermodynamic data on the two solid forms leads to the conclusion that both forms are unambiguously ... -
A Dozen Years of Single-Molecule Spectroscopy in Physics, Chemistry, and Biophysics
American Chemical Society | 2002|, both at liquid helium temperatures and at room temperature, in the areas of physical chemistry, quantum optics, and biophysics. Due to the ...
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