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Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: A simulated phase estimation study
Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: A simulated phase estimation study
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Quantum chemistry beyond Born-Oppenheimer approximation on a quantum computer: A simulated phase estimation study

Veis, Libor ; Višňák, Jakub ; Nishizawa, Hiroaki ; Nakai, Hiromi ; Pittner, Jiří

International journal of quantum chemistry, 2016-09, Vol.116 (18), p.1328-1336 [Periódico revisado por pares]

Hoboken: Blackwell Publishing Ltd

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2
A Diindole-fused Corannulene Imide Derivative: Synthesis and Properties
A Diindole-fused Corannulene Imide Derivative: Synthesis and Properties
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A Diindole-fused Corannulene Imide Derivative: Synthesis and Properties

Saha, Mithu ; Yue-Hua, Bao ; Zhou, Cen

Chemistry letters, , Vol.47 (11), p.1383 [Periódico revisado por pares]

Tokyo: Chemical Society of Japan

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3
Tuning of the electronic properties of H-passivated armchair graphene nanoribbons by mild border oxidation: Theoretical study on periodic models
Tuning of the electronic properties of H-passivated armchair graphene nanoribbons by mild border oxidation: Theoretical study on periodic models
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Tuning of the electronic properties of H-passivated armchair graphene nanoribbons by mild border oxidation: Theoretical study on periodic models

Ghigo, Giovanni ; Maranzana, Andrea ; Tonachini, Glauco

International journal of quantum chemistry, 2016-09, Vol.116 (17), p.1281-1284 [Periódico revisado por pares]

Hoboken: Blackwell Publishing Ltd

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4
Quantum chemical study of IrFn (n = 1-7) clusters: An investigation of superhalogen properties
Quantum chemical study of IrFn (n = 1-7) clusters: An investigation of superhalogen properties
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Quantum chemical study of IrFn (n = 1-7) clusters: An investigation of superhalogen properties

Siddiqui, Shamoon Ahmad ; Rasheed, Tabish

International journal of quantum chemistry, 2013-04, Vol.113 (7), p.959-965 [Periódico revisado por pares]

Hoboken: Wiley Subscription Services, Inc., A Wiley Company

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5
Effect of Resonance on the Clickability of Alkenyl Azides in the Strain-promoted Cycloaddition with Dibenzo-fused Cyclooctynes
Effect of Resonance on the Clickability of Alkenyl Azides in the Strain-promoted Cycloaddition with Dibenzo-fused Cyclooctynes
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Effect of Resonance on the Clickability of Alkenyl Azides in the Strain-promoted Cycloaddition with Dibenzo-fused Cyclooctynes

Yoshida, Suguru ; Goto, Sayuri ; Nishiyama, Yoshitake ; Hazama, Yuki ; Kondo, Masakazu ; Matsushita, Takeshi ; Hosoya, Takamitsu

Chemistry letters, 2019-09, Vol.48 (9), p.1038-1041 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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6
N-Fused Porphyrin: A Maverick Member of the Porphyrin Family
N-Fused Porphyrin: A Maverick Member of the Porphyrin Family
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N-Fused Porphyrin: A Maverick Member of the Porphyrin Family

Toganoh, Motoki ; Furuta, Hiroyuki

Chemistry letters, 2019-07, Vol.48 (7), p.615-622 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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7
Synthesis, Characterization, and Solar Cell Applications of a Non-fused-ring Electron Acceptor Based on Vinylene-bridged Difluorobenzothiadiazole
Synthesis, Characterization, and Solar Cell Applications of a Non-fused-ring Electron Acceptor Based on Vinylene-bridged Difluorobenzothiadiazole
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Synthesis, Characterization, and Solar Cell Applications of a Non-fused-ring Electron Acceptor Based on Vinylene-bridged Difluorobenzothiadiazole

Mori, Hiroki ; Hasegawa, Natsuki ; Yoshino, Tomoki ; Nishihara, Yasushi

Chemistry letters, 2023-10, Vol.52 (10), p.779-782 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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8
Theoretical Study on the Regulating Mechanism of the Transition Between the Open-closed State of hCtBP2: A Combined Molecular Dynamics and Quantum Mechanical Interaction Analysis
Theoretical Study on the Regulating Mechanism of the Transition Between the Open-closed State of hCtBP2: A Combined Molecular Dynamics and Quantum Mechanical Interaction Analysis
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Theoretical Study on the Regulating Mechanism of the Transition Between the Open-closed State of hCtBP2: A Combined Molecular Dynamics and Quantum Mechanical Interaction Analysis

Yamamoto, Yuta ; Shigeta, Yasuteru

Chemistry letters, 2023-02, Vol.52 (2), p.120-123 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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9
Quantitative structure-activity relationship(QSAR) models for color and COD removal for some dyes subjected to electrochemical oxidation
Quantitative structure-activity relationship(QSAR) models for color and COD removal for some dyes subjected to electrochemical oxidation
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Quantitative structure-activity relationship(QSAR) models for color and COD removal for some dyes subjected to electrochemical oxidation

Hirpara, Katha S. ; Patel, Upendra D.

Environmental technology, 2023-07, Vol.44 (16), p.2374-2385 [Periódico revisado por pares]

England: Taylor & Francis

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10
Theoretical Study of the Band-gap Differences among Lead Triiodide Perovskite Materials: CsPbI3, MAPbI3, and FAPbI3
Theoretical Study of the Band-gap Differences among Lead Triiodide Perovskite Materials: CsPbI3, MAPbI3, and FAPbI3
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Theoretical Study of the Band-gap Differences among Lead Triiodide Perovskite Materials: CsPbI3, MAPbI3, and FAPbI3

Jono, Ryota ; Segawa, Hiroshi

Chemistry letters, 2019, Vol.48 (8), p.877-880 [Periódico revisado por pares]

Tokyo: The Chemical Society of Japan

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