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- IP address: 85.143.0.20
- Location: Nizhniy Novgorod Russia
- Latitude: 56.334
- Longitude: 44.0041
- Timezone: Europe/Moscow
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We found Websites Listing below when search with qchem.unn.ru on Search Engine
Software and scripts | QCHEM - unn.ru
Web Нижегородский государственный университет им. Н.И. Лобачевского > QCHEM > Software and scripts Software and scripts Computer programs, scripts and other tools …
Qchem.unn.ruGroup members | QCHEM
Web [email protected] Sergey V. Panteleev Ph.D., Researcher of the Laboratory of Molecular Modeling and Chemoinformatics, Senjor Engineer of Volgo-Vyatsky Center of Metrology, Nizhny Novgorod
Qchem.unn.ruActivity | QCHEM
Web Quantum chemical studies of structure and properties of the molecules and molecular complexes, clusters, and solid surfaces with emphasis at the catalytically active …
Qchem.unn.ruPublications | QCHEM
Web List of selected publications. Journal Articles referenced on WoS (October, 2015) Zasovskaya, M. A.; Ignatov, S. K. Molecular pathways of SOCl2 hydrolysis within mono- …
Qchem.unn.ruКвантовая химия. Часть 1. Квантовая механика и строение …
Web С.К. Игнатов 6 ГЛАВА 1 ПРЕДМЕТ И ИСТОРИЯ КВАНТОВОЙ ХИМИИ Квантовая химия ± теоретический раздел химии, в котором описание
Qchem.unn.ruReactions of ozone with olefins and dienes: anharmonic …
Web Sep 1, 2021 · The primary step of propene ozonolysis was studied using various quantum chemistry approaches including the M06-2X method, the double hybrid B2PLYP and …
Link.springer.comHome | Research Institute for Chemistry
Web On 21 September 2016 an international workshop “Russia-Germany Cooperation in alternative energy” took place at Lobachevsky University. Participants of the opening …
Ichem.unn.ruQ-Chem 6.1 | Fast, Accurate, Robust Chemistry …
Web Q-Chem is an ab initio quantum chemistry software package for fast and accurate simulations of molecular systems, including electronic and molecular structure, …
Q-chem.comStructural, electronic, and thermodynamic properties of TiO
Web Sep 9, 2020 · The clusters of bare TiO 2 and TiO 2 with linked organic ligands modeling polyorganic composites used as photocatalytic materials were studied using the density …
Onlinelibrary.wiley.comKinetics and mechanism of ozone addition to ... - ResearchGate
Web Dec 31, 2020 · The DSC method was used to study the low-temperature (77–280 K) ozonolysis of perfluoroleflns, tetrafluoroethylene (TFE) and hexafluoropropylene (HFP), …
Researchgate.netAlternative mechanism of thermolysis of diaminodinitroethylene …
Web Feb 25, 2021 · Alternative mechanism of thermolysis of diaminodinitroethylene (FOX-7) Letters to the Editor. Published: 25 February 2021. Volume 70 , pages 424–426, ( 2021 ) …
Link.springer.comKinetics and mechanism of ozone addition to tetrafluoroethylene …
Web Feb 22, 2021 · The quantum chemical calculation for the addition of ozone to TFE and HFP via the mechanisms of concerted (Criegee mechanism) and nonconcerted (DeMore …
Link.springer.comModification of 56ACARBO force field for molecular dynamic
Web Jul 26, 2017 · The GROMOS 56ACARBO force field for the description of carbohydrates was modified for calculations of chitosan …
Link.springer.comGas-phase and liquid-phase ozonolysis of butadiene: Theoretical ...
Web Jun 22, 2022 · A quantum chemical modeling of butadiene ozonolysis primary stage was perfomed. DFT methods, which are double-hybrid B2PLYP with basis sets aug-cc-pVDZ …
Pubs.aip.orgOn the Mechanism of Thermal Decomposition of 1,1-Diamino-2,2 ...
Web PDF | On Mar 20, 2020, Boris Krisyuk and others published On the Mechanism of Thermal Decomposition of 1,1-Diamino-2,2-dinitroethene (FOX-7) and its Cyclic Derivatives | Find, …
Researchgate.netStructure and electronic excitation spectra of low ... - ScienceDirect
Web Dec 15, 2019 · The global structure optimization using the DFT-calibrated empirical potentials followed by the geometry optimization at the DFT level (BPW91/LANL2DZ) has …
Sciencedirect.comEffect of magnesium cluster size on Grignard reagent formation ...
Web If the address matches an existing account you will receive an email with instructions to reset your password
Worldscientific.comMechanism of thermal decomposition of 1-tert-butyl- and 1-ethyl-2 ...
Web Jun 1, 2023 · SYNOPSIS 1-tert-butyl-2-methoxydiazene-1-oxide and 1-ethyl-2-methoxydiazene-1-oxide were chosen as the objects for quantum chemical studies.For …
Sciencedirect.comQuantum chemical calculation of the primary thermolysis
Web Dec 29, 2020 · The primary thermolysis reactions of 1,1-diamino-2,2-dinitroethylene FOX-7 (1), one of the promising energetic materials, were studied. A number of competing …
Link.springer.comTransition state structure of the reaction of homolytic ... - Springer
Web Aug 16, 2019 · Various mechanisms of the primary act of gas-phase monomolecular thermal decomposition of nitrobenzene were studied theoretically. The following reactions were …
Link.springer.com
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