화학공학소재연구정보센터
검색결과 : 43건
No. Article
1 Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations
Gorn MV, Gritsan NP, Goldsmith CF, Kiselev VG
Journal of Physical Chemistry A, 124(38), 7665, 2020
2 Mechanistic study of the [(dpp-bian)Re(CO)(3)Br] electrochemical reduction using in situ EPR spectroscopy and computational chemistry
Abramov PA, Dmitriev AA, Kholin KV, Gritsan NP, Kadirov MK, Gushchin AL, Sokolov MN
Electrochimica Acta, 270, 526, 2018
3 Thermochemistry, Tautomerism, and Thermal Decomposition of 1,5-Diaminotetrazole: A High-Level ab Initio Study
Shakhova MV, Muravyev NV, Gritsan NP, Kiselev VG
Journal of Physical Chemistry A, 122(15), 3939, 2018
4 Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)]
Abramov PA, Gritsan NP, Suturina EA, Bogomyakov AS, Sokolov MN
Inorganic Chemistry, 54(14), 6727, 2015
5 Synthesis and Properties of the Heterospin (S-1 = S-2=1/2) Radical-Ion Salt Bis(mesitylene)molybdenum(I) [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl
Pushkarevsky NA, Semenov NA, Dmitriev AA, Kuratieva NV, Bogomyakov AS, Irtegova IG, Vasilieva NV, Bode BE, Gritsan NP, Konstantinova LS, Woollins JD, Rakitin OA, Konchenko SN, Ovcharenko VI, Zibarev AV
Inorganic Chemistry, 54(14), 7007, 2015
6 FTIR Study of Thermally Induced Magnetostructural Transitions in Breathing Crystals
Veber SL, Suturina EA, Fedin MV, Boldyrev KN, Maryunina KY, Sagdeev RZ, Ovcharenko VI, Gritsan NP, Bagryanskaya EG
Inorganic Chemistry, 54(7), 3446, 2015
7 Comment on "Computational Study on the Vinyl Azide Decomposition"
Nguyen MT, Hang TD, Gritsan NP, Kiselev VG
Journal of Physical Chemistry A, 119(51), 12906, 2015
8 Unexpected Primary Reactions for Thermolysis of 1,1-Diamino-2,2-dinitroethylene (FOX-7) Revealed by ab Initio Calculations
Kiselev VG, Gritsan NP
Journal of Physical Chemistry A, 118(36), 8002, 2014
9 Bis(toluene)chromium(I) [1,2,5]Thiadiazolo[3,4-c][1,2,5]thiadiazolidyl and [1,2,5]Thiadiazolo[3,4-b]pyrazinidyl: New Heterospin (S-1 = S-2=1/2) Radical-Ion Salts
Semenov NA, Pushkarevsky NA, Suturina EA, Chulanova EA, Kuratieva NV, Bogomyakov AS, Irtegova IG, Vasilieva NV, Konstantinova LS, Gritsan NP, Rakitin OA, Ovcharenko VI, Konchenko SN, Zibarev AV
Inorganic Chemistry, 52(11), 6654, 2013
10 Experimental and Computational Study of the Gas-Phase Reaction of O(D-1) Atoms with VF5
Rakhymzhan AA, Chichinin AI, Kiselev VG, Gritsan NP
Journal of Physical Chemistry A, 117(5), 814, 2013