List of works - Vitaly G. Kiselev

Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory

scientific article published on 12 April 2019

Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods

scientific article published on 01 November 2019

Cheaper, Faster, or Better: Are simple estimations of safety parameters of hazardous materials reliable? Comments on "Thermal behaviors, nonisothermal decomposition reaction kinetics, thermal safety and burning rates of BTATz-CMDB propellant" by Zha

scientific article

Comment on "Computational Study on the Vinyl Azide Decomposition"

scientific article published on 15 December 2015

Comment on "Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compounds" by G. Fayet, P. Rotureau, B. Minisini, Phys. Chem. Chem. Phys., 2014, 16, 6614

scientific article published on 01 April 2015

Decomposition Pathways of Titanium Isopropoxide Ti(OiPr)4: New Insights from UV-Photodissociation Experiments and Quantum Chemical Calculations

scientific article published on 15 January 2018

Experimental and computational study of the gas-phase reaction of O(1D) Atoms with VF5.

scientific article

Fast reactions of hydroxycarbenes: tunneling effect versus bimolecular processes.

scientific article published in May 2010

Nitro-, Cyano-, and Methylfuroxans, and Their Bis-Derivatives: From Green Primary to Melt-Cast Explosives

scientific article published on 10 December 2020

Pursuing reliable thermal analysis techniques for energetic materials: decomposition kinetics and thermal stability of dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50).

scientific article published on December 2016

Tautomerism and thermal decomposition of tetrazole: high-level ab initio study.

scientific article published on 15 February 2011

The Nature of the Enthalpy–Entropy Compensation and “Exotic” Arrhenius Parameters in the Denaturation Kinetics of Proteins

scientific article published in 2023

Theoretical study of the 5-aminotetrazole thermal decomposition.

scientific article published in April 2009

Theoretical study of the nitroalkane thermolysis. 1. Computation of the formation enthalpy of the nitroalkanes, their isomers and radical products.

scientific article published on 18 April 2008

Theoretical study of the primary processes in the thermal decomposition of hydrazinium nitroformate

scientific article published in October 2009

Thermochemistry, Tautomerism, and Thermal Decomposition of 1,5-Diaminotetrazole: A High-Level ab Initio Study.

scientific article published on 27 March 2018

Toward reliable characterization of energetic materials: interplay of theory and thermal analysis in the study of the thermal stability of tetranitroacetimidic acid (TNAA)

scientific article published on 01 November 2018

Unexpected primary reactions for thermolysis of 1,1-diamino-2,2-dinitroethylene (FOX-7) revealed by ab initio calculations.

scientific article

pH-sensitive C-ON bond homolysis of alkoxyamines of imidazoline series: a theoretical study

scientific article published on 7 May 2014

List of works by Vitaly G. Kiselev

Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory

Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods

Cheaper, Faster, or Better: Are simple estimations of safety parameters of hazardous materials reliable? Comments on "Thermal behaviors, nonisothermal decomposition reaction kinetics, thermal safety and burning rates of BTATz-CMDB propellant" by Zha

Comment on "Computational Study on the Vinyl Azide Decomposition"

Comment on "Decomposition mechanisms of trinitroalkyl compounds: a theoretical study from aliphatic to aromatic nitro compounds" by G. Fayet, P. Rotureau, B. Minisini, Phys. Chem. Chem. Phys., 2014, 16, 6614

Decomposition Pathways of Titanium Isopropoxide Ti(OiPr)4: New Insights from UV-Photodissociation Experiments and Quantum Chemical Calculations

Experimental and computational study of the gas-phase reaction of O(1D) Atoms with VF5.

Fast reactions of hydroxycarbenes: tunneling effect versus bimolecular processes.

Nitro-, Cyano-, and Methylfuroxans, and Their Bis-Derivatives: From Green Primary to Melt-Cast Explosives

Pursuing reliable thermal analysis techniques for energetic materials: decomposition kinetics and thermal stability of dihydroxylammonium 5,5'-bistetrazole-1,1'-diolate (TKX-50).

Tautomerism and thermal decomposition of tetrazole: high-level ab initio study.

The Nature of the Enthalpy–Entropy Compensation and “Exotic” Arrhenius Parameters in the Denaturation Kinetics of Proteins

Theoretical study of the 5-aminotetrazole thermal decomposition.

Theoretical study of the nitroalkane thermolysis. 1. Computation of the formation enthalpy of the nitroalkanes, their isomers and radical products.

Theoretical study of the primary processes in the thermal decomposition of hydrazinium nitroformate

Thermochemistry, Tautomerism, and Thermal Decomposition of 1,5-Diaminotetrazole: A High-Level ab Initio Study.

Toward reliable characterization of energetic materials: interplay of theory and thermal analysis in the study of the thermal stability of tetranitroacetimidic acid (TNAA)

Unexpected primary reactions for thermolysis of 1,1-diamino-2,2-dinitroethylene (FOX-7) revealed by ab initio calculations.

pH-sensitive C-ON bond homolysis of alkoxyamines of imidazoline series: a theoretical study