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Controlling decomposition reaction pathways of novel primary explosives at electronic structure level

Chinese journal of chemical physics, 2023-06, Vol.36 (3), p.360-372

2023

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Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p‑Type Sensitizer

ACS omega, 2020-09, Vol.5 (36), p.23491-23496

2020

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Molecular dynamics simulation on interacting and mechanical properties of polylactic acid and attapulgite(100) surface

Journal of applied polymer science, 2013-06, Vol.128 (5), p.3043-3049

2013

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Study on charge mobility of hexathiapentacene and its selenium analogs

Journal of the Serbian Chemical Society, 2021-01, Vol.86 (2), p.171-180

2021

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Oxygen adsorption and diffusion on an Al(111) surface and subsurface: a theoretical study

Canadian journal of chemistry, 2016-06, Vol.94 (6), p.541-546

2016

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IR Spectra of Different O2-Content Hemoglobin from Computational Study: Promising Detector of Hemoglobin Variant in Medical Diagnosis

Interdisciplinary sciences : computational life sciences, 2017-06, Vol.9 (2), p.322-331

2017

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Simulations on the oxidation of Al-Mg alloy nanoparticles using the ReaxFF reactive force field

Materials today communications, 2023-06, Vol.35, p.106180, Article 106180

2023

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Electronic Structures and Mobilities of 2,2'-diphenyl-5,5'-bithiazole Derivatives

Croatica Chemica Acta, 2017-01, Vol.90 (1), p.1

2017

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Elastic, superconducting, and thermodynamic properties of the cubic metallic phase of AlH3 via first-principles calculations

Journal of applied physics, 2013-09, Vol.114 (11)

2013

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A Density Functional Theory Study of Adsorption and Decomposition of Nitroamine Molecules on the Al(111) Surface

Journal of physical chemistry. C, 2010-05, Vol.114 (20), p.9390-9397

2010

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A DFT study of adsorption and decomposition of nitroamine molecule on Mg(001) surface

Structural chemistry, 2014-04, Vol.25 (2), p.409-417

2014

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Adsorption of 2,4,6-trinitrotoluene on Al(111) ultrathin film: periodic DFT calculations

Structural chemistry, 2012-06, Vol.23 (3), p.921-930

2012

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Density functional theory study on (LiNH2)n (n = 1–5) clusters

Journal of molecular modeling, 2011-02, Vol.17 (2), p.235-242

2011

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Computational investigation on 2,6-diamino-3,5-dinitropyridine-1-oxide crystal

Structural chemistry, 2010-06, Vol.21 (3), p.651-656

2010

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Mlkl knockout mice demonstrate the indispensable role of Mlkl in necroptosis

Cell research, 2013-08, Vol.23 (8), p.994-1006

2013

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Thermal decomposition behaviors of adamantane and 1-methyladamantane in oxygen atmosphere: ReaxFF molecular dynamics simulation

Fuel (Guildford), 2024-11, Vol.375, p.132603, Article 132603

2024

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Intermolecular interactions of sulfur trioxide and sulfuric acid dimers studied by the DFT method

Journal of chemical research, 2006-12, Vol.2006 (12), p.790-793

2006

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Analysis and discrimination of ten different sponges by multi-step infrared spectroscopy

Chinese chemical letters, 2015-02, Vol.26 (2), p.215-220

2015

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Periodic DFT study of adsorption of nitroamine molecule on α-Al2O3(001) surface

Applied surface science, 2012-07, Vol.258 (19), p.7334-7342

2012

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IR Spectra of Different O 2 -Content Hemoglobin from Computational Study: Promising Detector of Hemoglobin Variant in Medical Diagnosis

Interdisciplinary sciences : computational life sciences, 2017-06, Vol.9 (2), p.322

2017

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A SPG3A mutation with a novel foot phenotype of hereditary spastic paraplegia in a Chinese Han family

Chinese medical journal, 2007-05, Vol.120 (9), p.834-837

2007

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Density Functional Theory Studies on the Adsorption of NH2NO2 on Al13 Cluster

Journal of cluster science, 2012-06, Vol.23 (2), p.395-410

2012

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Climate Change Facts in Central China during 1961-2010

Advances in climate change research, 2013-06, Vol.4 (2), p.103-109

2013

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Substrate Selectivity of Glycerol-3-phosphate Acyl Transferase in Rice

Journal of integrative plant biology, 2009-11, Vol.51 (11), p.1040-1049

2009

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R25G mutation in exon 1 of LMNA gene is associated with dilated cardiomyopathy and limb-girdle muscular dystrophy 1B

Chinese medical journal, 2009-12, Vol.122 (23), p.2840-2845

2009

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Controlling decomposition reaction pathways of novel primary explosives at electronic structure level

Theoretical Study of Effects of Anchoring Groups on Photovoltaic Properties of a Triarylamine-Based p‑Type Sensitizer

Molecular dynamics simulation on interacting and mechanical properties of polylactic acid and attapulgite(100) surface

Study on charge mobility of hexathiapentacene and its selenium analogs

Oxygen adsorption and diffusion on an Al(111) surface and subsurface: a theoretical study

IR Spectra of Different O2-Content Hemoglobin from Computational Study: Promising Detector of Hemoglobin Variant in Medical Diagnosis

Simulations on the oxidation of Al-Mg alloy nanoparticles using the ReaxFF reactive force field

Electronic Structures and Mobilities of 2,2'-diphenyl-5,5'-bithiazole Derivatives

Elastic, superconducting, and thermodynamic properties of the cubic metallic phase of AlH3 via first-principles calculations

A Density Functional Theory Study of Adsorption and Decomposition of Nitroamine Molecules on the Al(111) Surface

A DFT study of adsorption and decomposition of nitroamine molecule on Mg(001) surface

Adsorption of 2,4,6-trinitrotoluene on Al(111) ultrathin film: periodic DFT calculations

Density functional theory study on (LiNH2)n (n = 1–5) clusters

Computational investigation on 2,6-diamino-3,5-dinitropyridine-1-oxide crystal

Mlkl knockout mice demonstrate the indispensable role of Mlkl in necroptosis

Thermal decomposition behaviors of adamantane and 1-methyladamantane in oxygen atmosphere: ReaxFF molecular dynamics simulation

Intermolecular interactions of sulfur trioxide and sulfuric acid dimers studied by the DFT method

Analysis and discrimination of ten different sponges by multi-step infrared spectroscopy

Periodic DFT study of adsorption of nitroamine molecule on α-Al2O3(001) surface

IR Spectra of Different O 2 -Content Hemoglobin from Computational Study: Promising Detector of Hemoglobin Variant in Medical Diagnosis

A SPG3A mutation with a novel foot phenotype of hereditary spastic paraplegia in a Chinese Han family

Density Functional Theory Studies on the Adsorption of NH2NO2 on Al13 Cluster

Climate Change Facts in Central China during 1961-2010

Substrate Selectivity of Glycerol-3-phosphate Acyl Transferase in Rice

R25G mutation in exon 1 of LMNA gene is associated with dilated cardiomyopathy and limb-girdle muscular dystrophy 1B

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