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Electrochemical reactions of lithium-sulfur batteries: an analytical study using the organic conversion technique

Physical chemistry chemical physics : PCCP, 2014-05, Vol.16 (20), p.9344-9350

2014

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Boron Clusters as Highly Stable Magnesium-Battery Electrolytes

Angewandte Chemie International Edition, 2014-03, Vol.53 (12), p.3173-3177

International ed. in English, 2014

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A Solid Chelating Ligand: Periodic Mesoporous Organosilica Containing 2,2′-Bipyridine within the Pore Walls

Journal of the American Chemical Society, 2014-03, Vol.136 (10), p.4003-4011

2014

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Photocatalytic CO2 Reduction by Periodic Mesoporous Organosilica (PMO) Containing Two Different Ruthenium Complexes as Photosensitizing and Catalytic Sites

Chemistry : a European journal, 2017-08, Vol.23 (43), p.10301-10309

2017

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Ab Initio Studies of Aromatic Excimers Using Multiconfiguration Quasi-Degenerate Perturbation Theory

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-07, Vol.115 (26), p.7687-7699

2011

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Re(bpy)(CO)3Cl Immobilized on Bipyridine‐Periodic Mesoporous Organosilica for Photocatalytic CO2 Reduction

Chemistry : a European journal, 2018-03, Vol.24 (15), p.3846-3853

2018

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Superior Low-Temperature Power and Cycle Performances of Na-Ion Battery over Li-Ion Battery

ACS omega, 2017-03, Vol.2 (3), p.864-872

2017

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A lithium phosphorous oxynitride (LiPON) film sputtered from unsintered Li3PO4 powder target

Solid state ionics, 2011-06, Vol.191 (1), p.49-54

2011

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Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst Modeling

ACS omega, 2022-03, Vol.7 (12), p.10840-10853

2022

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Effects of Ta2O5 Surface Modification by NH3 on the Electronic Structure of a Ru-Complex/N–Ta2O5 Hybrid Photocatalyst for Selective CO2 Reduction

Journal of physical chemistry. C, 2018-02, Vol.122 (4), p.1921-1929

2018

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Upward Shift in Conduction Band of Ta2O5 Due to Surface Dipoles Induced by N‑Doping

Journal of physical chemistry. C, 2015-12, Vol.119 (48), p.26925-26936

2015

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Computational Analysis of Chemical Reactions Using a Variational Quantum Eigensolver Algorithm without Specifying Spin Multiplicity

ACS omega, 2023-06, Vol.8 (22), p.19917-19925

2023

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Molecular Structure Optimization Based on Electrons–Nuclei Quantum Dynamics Computation

ACS omega, 2022-06, Vol.7 (23), p.19784-19793

2022

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Ab Initio Molecular Orbital Study on the Excited States of [2.2]‑, [3.3]‑, and Siloxane-Bridged Paracyclophanes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-10, Vol.116 (41), p.10194-10202

2012

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Ab initio study on the excited states of pyrene and its derivatives using multi-reference perturbation theory methods

RSC advances, 2020-03, Vol.10 (22), p.12988-12998

2020

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Silicanes Modified by Conjugated Substituents for Optoelectronic Devices

Advanced optical materials, 2019-09, Vol.7 (18), p.n/a

2019

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Theoretical analysis of means of preventing Si-C bond cleavage during polycondensation of organosilanes to organosilicas

New journal of chemistry, 2021-04, Vol.45 (13), p.612-6128

2021

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Characteristics and structural change of layered polysilane (Si 6H 6) anode for lithium ion batteries

Journal of power sources, 2011-02, Vol.196 (3), p.1503-1507

2011

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Construction of Antisymmetric Variational Quantum States with Real Space Representation

Journal of chemical theory and computation, 2024-08, Vol.20 (16), p.7065

2024

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Saccharide formation by sustainable formose reaction using heterogeneous zeolite catalysts

Dalton transactions : an international journal of inorganic chemistry, 2024-02, Vol.53 (6), p.2678-2686

2024

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Direct Chemical Synthesis of Benzyl-Modified Silicane from Calcium Disilicide

Chemistry of materials, 2019-07, Vol.31 (13), p.4720-4725

2019

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Theoretical Studies on Si−C Bond Cleavage in Organosilane Precursors during Polycondensation to Organosilica Hybrids

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-05, Vol.114 (19), p.6047-6054

2010

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Computational Evidence of Inversion of (1)La and (1)Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study

Journal of chemical theory and computation, 2016-05, Vol.12 (5), p.2366-2372

2016

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Computational Evidence of Inversion of 1La and 1Lb‑Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study

Journal of chemical theory and computation, 2016-05, Vol.12 (5), p.2366-2372

2016

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study on the excited states of pyrene and its derivatives using multi-reference perturbation theory methods

RSC advances, 2020-03, Vol.1 (22), p.12988-12998

2020

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Electrochemical reactions of lithium-sulfur batteries: an analytical study using the organic conversion technique

Boron Clusters as Highly Stable Magnesium-Battery Electrolytes

A Solid Chelating Ligand: Periodic Mesoporous Organosilica Containing 2,2′-Bipyridine within the Pore Walls

Photocatalytic CO2 Reduction by Periodic Mesoporous Organosilica (PMO) Containing Two Different Ruthenium Complexes as Photosensitizing and Catalytic Sites

Ab Initio Studies of Aromatic Excimers Using Multiconfiguration Quasi-Degenerate Perturbation Theory

Re(bpy)(CO)3Cl Immobilized on Bipyridine‐Periodic Mesoporous Organosilica for Photocatalytic CO2 Reduction

Superior Low-Temperature Power and Cycle Performances of Na-Ion Battery over Li-Ion Battery

A lithium phosphorous oxynitride (LiPON) film sputtered from unsintered Li3PO4 powder target

Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst Modeling

Effects of Ta2O5 Surface Modification by NH3 on the Electronic Structure of a Ru-Complex/N–Ta2O5 Hybrid Photocatalyst for Selective CO2 Reduction

Upward Shift in Conduction Band of Ta2O5 Due to Surface Dipoles Induced by N‑Doping

Computational Analysis of Chemical Reactions Using a Variational Quantum Eigensolver Algorithm without Specifying Spin Multiplicity

Molecular Structure Optimization Based on Electrons–Nuclei Quantum Dynamics Computation

Ab Initio Molecular Orbital Study on the Excited States of [2.2]‑, [3.3]‑, and Siloxane-Bridged Paracyclophanes

Ab initio study on the excited states of pyrene and its derivatives using multi-reference perturbation theory methods

Silicanes Modified by Conjugated Substituents for Optoelectronic Devices

Theoretical analysis of means of preventing Si-C bond cleavage during polycondensation of organosilanes to organosilicas

Characteristics and structural change of layered polysilane (Si 6H 6) anode for lithium ion batteries

Construction of Antisymmetric Variational Quantum States with Real Space Representation

Saccharide formation by sustainable formose reaction using heterogeneous zeolite catalysts

Direct Chemical Synthesis of Benzyl-Modified Silicane from Calcium Disilicide

Theoretical Studies on Si−C Bond Cleavage in Organosilane Precursors during Polycondensation to Organosilica Hybrids

Computational Evidence of Inversion of (1)La and (1)Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study

Computational Evidence of Inversion of 1La and 1Lb‑Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study

study on the excited states of pyrene and its derivatives using multi-reference perturbation theory methods

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