Ушбу ишга иқтибос қилган ишлар

44 та иш

Иш: Self-Consistent Equations Including Exchange and Correlation Effects

A new semiempirical electronic structure and total energy calculation method for solids and large molecules
Z. M. Khakimov
МақолаAdvanced Chemical Physics StudiesComputational Materials Science19948 иқтибос
ABI
Accurate calibration of relativistic mean-field models: Correlating observables and providing meaningful theoretical uncertainties
F. J. Fattoyev, J. Piekarewicz
МақолаNuclear physics research studiesPhysical Review C20113 иқтибос
ABI
DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications
Aparna Dixit, Arti Saxena, Mumtaz Manzoor +6
МақолаAdvanced Thermoelectric Materials and DevicesJournal of Inorganic and Organometallic Polymers and Materials20252 иқтибос
ABI
Layered Na5V12O32 nanowires with enhanced properties of removing Pb2+ in aqueous solution by chemical reaction
Dong Fang, Xueliu Xu, Rui Bao +5
МақолаAdvanced Photocatalysis TechniquesJournal of environmental chemical engineering20202 иқтибос
ABI
Electronic structure, structural and optical properties of thermally evaporated CdTe thin films
S. Lalitha, Smagul Karazhanov, P. Ravindran +3
МақолаChalcogenide Semiconductor Thin FilmsPhysica B Condensed Matter20061 иқтибос
ABI
Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction
Polina Tereshchuk, Juarez L. F. Da Silva
МақолаAdvanced Chemical Physics StudiesThe Journal of Physical Chemistry C20121 иқтибос
ABI
Microstructural evolution of TiC nano powders under fast neutron irradiation: A multi-technique analysis
E. Popov, L. Slavov, E. Demir +10
МақолаAdvanced materials and compositesVacuum20231 иқтибос
ABI
Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study
Fadhil Faez, Farag M. A. Altalbawy, Prakash Kanjariya +6
МақолаGas Sensing Nanomaterials and SensorsComputational and Theoretical Chemistry20251 иқтибос
ABI
Raman non-coincidence effect of C ˭ O stretching modes of ethyl, butyl, and amyl acetate
А. Jumabaev, I. Doroshenko, А. Absanov +2
МақолаNonlinear Optical Materials ResearchLow Temperature Physics20251 иқтибос
ABI
A comparative DFT study of the delivery performance of Au cluster decorated MoSe2 and WSe2 nanosheets for hydroxyurea and nitrosourea anticancer drugs
Farag M.A. Altalbawy, Munthar Kadhim Abosaoda, Suranjana V. Mayani‎ +7
Мақола2D Materials and ApplicationsMaterials Chemistry and Physics20251 иқтибос
ABI
Pressure-Induced Enhanced Optical Absorption in Sulvanite Compound Cu3TaX4 (X = S, Se, and Te): An ab Initio Study
Himanshu Joshi, A. Shankar, Nihal Limbu +7
Шарҳ мақолаChalcogenide Semiconductor Thin FilmsACS Omega20221 иқтибос
ABI
Allowance for kinematic selection rules in the electron-density functional method and ground-state ?quasiparticles?
S. А. Beznosyuk, V. P. Fadin
МақолаAdvanced Chemical Physics StudiesRussian Physics Journal19800 иқтибос
ABI
Density functional theory: Approximating quasiparticle density functional
Serge A. Beznosjuk, Eugene S. Kryachko
МақолаAdvanced Chemical Physics StudiesInternational Journal of Quantum Chemistry19840 иқтибос
ABI
Energy of interaction of a helium film with a metal surface
V. I. Gerasimenko
МақолаQuantum, superfluid, helium dynamicsSoviet Journal of Low Temperature Physics19840 иқтибос
ABI
Optical properties of (Ge2)1−x (InP)x solid solutions
Sh. K. Ismailov, А. С. Саидов, K. Durshimbetov +1
МақолаPhase-change materials and chalcogenidesTechnical Physics Letters20060 иқтибос
ABI
The quantum solution of the accumulation layer problem of n-InN
A. A. Klochikhin, I. Yu. Strashkova
МақолаGaN-based semiconductor devices and materialsSemiconductors20090 иқтибос
ABI
Dynamics and stability of icosahedral Fe–Pt nanoparticles
Paweł T. Jochym, Jan Łażewski, M. Sternik +1
Мақолаnanoparticles nucleation surface interactionsPhysical Chemistry Chemical Physics20150 иқтибос
ABI
A first-principles study of the avalanche pressure of alpha zirconium
Qing Peng, Wei Ji, Jie Lian +4
МақолаHigh-pressure geophysics and materialsRSC Advances20160 иқтибос
ABI
Crown ether complexes of actinyls: a computational assessment of AnO2(15-crown-5)2+(An = U, Np, Pu, Am, Cm)
Shu‐Xian Hu, Wan‐Lu Li, Liang Dong +2
МақолаRadioactive element chemistry and processingDalton Transactions20170 иқтибос
ABI
Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles
Ying Liu, Huifang Du, Leiming Fang +5
МақолаEnergetic Materials and CombustionRSC Advances20210 иқтибос
ABI
Contacts for SiC nano-microwatt energy converters
Albina Gurskaya, M. V. Dolgopolov, Sali A. Rajapov +1
МақолаAdvanced Energy Technologies and Civil Engineering InnovationsVestnik Moskovskogo Universiteta Seriya 3 Fizika Astronomiya20230 иқтибос
ABI
First Principle Investigations of Cesium Based Cubic <scp>CsSiX3</scp> (X = Cl and F) Perovskites for Solar Conversion Applications: A <scp>DFT</scp> Study
Muhammad Khuram Shahzad, Shoukat Hussain, Ghulam Abbas Ashraf +5
МақолаPerovskite Materials and ApplicationsInternational Journal of Quantum Chemistry20240 иқтибос
ABI
Investigation of the structural, electronic, magnetic, mechanical, and optical properties of calcium-based CaJO3 (J = Mn, Ru) perovskites: A first-principle computations
Shoaib Khan, Mohammad Sohail, Nasir Rahman +8
МақолаPerovskite Materials and ApplicationsChemical Papers20240 иқтибос
ABI
A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages
Vincent de Paul Zoua, Fritzgerald Kogge Bine, Ismaèl Figapka Pagoré +2
МақолаBoron and Carbon Nanomaterials ResearchComputational and Theoretical Chemistry20240 иқтибос
ABI
Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study
Shaker Al‐Hasnaawei, Farag M. A. Altalbawy, Prakash Kanjariya +6
Мақола2D Materials and ApplicationsComputational Materials Science20250 иқтибос
ABI

Ушбу ишга иқтибос қилган ишлар

A new semiempirical electronic structure and total energy calculation method for solids and large molecules

Accurate calibration of relativistic mean-field models: Correlating observables and providing meaningful theoretical uncertainties

DFT-Based Investigation of Opto-Electronic, Mechanical, and Thermoelectric Properties of Sr2YBiO6 for Green Energy Applications

Layered Na5V12O32 nanowires with enhanced properties of removing Pb2+ in aqueous solution by chemical reaction

Electronic structure, structural and optical properties of thermally evaporated CdTe thin films

Ethanol and Water Adsorption on Close-Packed 3d, 4d, and 5d Transition-Metal Surfaces: A Density Functional Theory Investigation with van der Waals Correction

Microstructural evolution of TiC nano powders under fast neutron irradiation: A multi-technique analysis

Enhancing the H2S and SO2 sensing capabilities of WS2 nanosheets by transition metal (Mo, Nb, Zr) adsorption: A DFT study

Raman non-coincidence effect of C ˭ O stretching modes of ethyl, butyl, and amyl acetate

A comparative DFT study of the delivery performance of Au cluster decorated MoSe2 and WSe2 nanosheets for hydroxyurea and nitrosourea anticancer drugs

Pressure-Induced Enhanced Optical Absorption in Sulvanite Compound Cu<sub>3</sub>TaX<sub>4</sub> (X = S, Se, and Te): An <i>ab Initio</i> Study

Allowance for kinematic selection rules in the electron-density functional method and ground-state ?quasiparticles?

Density functional theory: Approximating quasiparticle density functional

Energy of interaction of a helium film with a metal surface

Optical properties of (Ge2)1−x (InP)x solid solutions

The quantum solution of the accumulation layer problem of n-InN

Dynamics and stability of icosahedral Fe–Pt nanoparticles

A first-principles study of the avalanche pressure of alpha zirconium

Crown ether complexes of actinyls: a computational assessment of AnO<sub>2</sub>(15-crown-5)<sup>2+</sup>(An = U, Np, Pu, Am, Cm)

Pressure-driven electronic phase transition in the high-pressure phase of nitrogen-rich 1H-tetrazoles

Contacts for SiC nano-microwatt energy converters

First Principle Investigations of Cesium Based Cubic <scp>CsSiX<sub>3</sub></scp> (X = Cl and F) Perovskites for Solar Conversion Applications: A <scp>DFT</scp> Study

Investigation of the structural, electronic, magnetic, mechanical, and optical properties of calcium-based CaJO3 (J = Mn, Ru) perovskites: A first-principle computations

A DFT study of eugenol adsorption onto pure and Si-doped Al12N12 and B12N12 fullerene-like nanocages

Adsorption properties of N containing N2O, NH3, NO and NO2 gas molecules on the novel TiO2 doped MoSe2 heterostructure system: A systematic DFT study