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Quantum biochemistry
Quantum biochemistry
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Quantum biochemistry

Chérif F Matta

Weinheim : Wiley-VCH c2010

Localização: IQSC - Inst. Química de São Carlos    (574.192 M429q V.2 )(Acessar)

2
The Nature of Triel Bonds, a Case of B and Al Centres Bonded with Electron Rich Sites
The Nature of Triel Bonds, a Case of B and Al Centres Bonded with Electron Rich Sites
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The Nature of Triel Bonds, a Case of B and Al Centres Bonded with Electron Rich Sites

Grabowski, Sławomir J

Molecules (Basel, Switzerland), 2020-06, Vol.25 (11), p.2703 [Periódico revisado por pares]

Switzerland: MDPI AG

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3
Triel Bonds, π-Hole-π-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene
Triel Bonds, π-Hole-π-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene
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Triel Bonds, π-Hole-π-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene

Grabowski, Sławomir J

Molecules (Basel, Switzerland), 2015-06, Vol.20 (6), p.11297-11316 [Periódico revisado por pares]

Switzerland: MDPI

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4
Inverse Versus Normal Behavior of Interactions, Elucidated Based on the Dynamic Nature with QTAIM Dual-Functional Analysis
Inverse Versus Normal Behavior of Interactions, Elucidated Based on the Dynamic Nature with QTAIM Dual-Functional Analysis
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Inverse Versus Normal Behavior of Interactions, Elucidated Based on the Dynamic Nature with QTAIM Dual-Functional Analysis

Nakanishi, Waro ; Hayashi, Satoko ; Imanaka, Ryosuke ; Nishide, Taro ; Tanaka, Eiichiro ; Matsuoka, Hikaru

International journal of molecular sciences, 2023-02, Vol.24 (3), p.2798 [Periódico revisado por pares]

Switzerland: MDPI AG

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5
Molecular Origins of Optoelectronic Properties in Coumarin Dyes: Toward Designer Solar Cell and Laser Applications
Molecular Origins of Optoelectronic Properties in Coumarin Dyes: Toward Designer Solar Cell and Laser Applications
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Molecular Origins of Optoelectronic Properties in Coumarin Dyes: Toward Designer Solar Cell and Laser Applications

Liu, Xiaogang ; Cole, Jacqueline M ; Waddell, Paul G ; Lin, Tze-Chia ; Radia, Jignesh ; Zeidler, Anita

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-01, Vol.116 (1), p.727-737 [Periódico revisado por pares]

United States: American Chemical Society

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6
Behavior of the E-E' Bonds (E, E' = S and Se) in Glutathione Disulfide and Derivatives Elucidated by Quantum Chemical Calculations with the Quantum Theory of Atoms-in-Molecules Approach
Behavior of the E-E' Bonds (E, E' = S and Se) in Glutathione Disulfide and Derivatives Elucidated by Quantum Chemical Calculations with the Quantum Theory of Atoms-in-Molecules Approach
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Behavior of the E-E' Bonds (E, E' = S and Se) in Glutathione Disulfide and Derivatives Elucidated by Quantum Chemical Calculations with the Quantum Theory of Atoms-in-Molecules Approach

Hayashi, Satoko ; Tsubomoto, Yutaka ; Nakanishi, Waro

Molecules (Basel, Switzerland), 2018-02, Vol.23 (2), p.443 [Periódico revisado por pares]

Switzerland: MDPI AG

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7
Double excitations in correlated systems: A many-body approach
Double excitations in correlated systems: A many-body approach
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Double excitations in correlated systems: A many-body approach

Sangalli, Davide ; Romaniello, Pina ; Onida, Giovanni ; Marini, Andrea

The Journal of chemical physics, 2011-01, Vol.134 (3), p.034115-034115-10 [Periódico revisado por pares]

United States: American Institute of Physics

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8
Reaction Mechanism of Monoethanolamine with CO2 in Aqueous Solution from Molecular Modeling
Reaction Mechanism of Monoethanolamine with CO2 in Aqueous Solution from Molecular Modeling
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Reaction Mechanism of Monoethanolamine with CO2 in Aqueous Solution from Molecular Modeling

Xie, Hong-Bin ; Zhou, Yanzi ; Zhang, Yingkai ; Johnson, J. Karl

JOURNAL OF PHYSICAL CHEMISTRY A, 2010-11, Vol.114 (43), p.11844-11852 [Periódico revisado por pares]

United States: American Chemical Society

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9
New Insights in Atom-Atom Interactions for Future Drug Design
New Insights in Atom-Atom Interactions for Future Drug Design
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New Insights in Atom-Atom Interactions for Future Drug Design

Popelier, Paul

Current topics in medicinal chemistry, 2012-09, Vol.12 (17), p.1924-1934 [Periódico revisado por pares]

United Arab Emirates: Bentham Science Publishers Ltd

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10
Linear σ-hole⋯CO⋯σ-hole intermolecular interactions between carbon monoxide and dihalogen molecules XY (X, Y=Cl, Br)
Linear σ-hole⋯CO⋯σ-hole intermolecular interactions between carbon monoxide and dihalogen molecules XY (X, Y=Cl, Br)
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Linear σ-hole⋯CO⋯σ-hole intermolecular interactions between carbon monoxide and dihalogen molecules XY (X, Y=Cl, Br)

Yang, Xing ; Yang, Fan ; Wu, Rui-Zhi ; Yan, Chao-Xian ; Zhou, Da-Gang ; Zhou, Pan-Pan ; Yao, Xiaojun

Journal of molecular graphics & modelling, 2017-09, Vol.76, p.419-428 [Periódico revisado por pares]

United States: Elsevier Inc

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Deste Autor:

  1. Matta, C

Neste Assunto:

  1. Models, Molecular
  2. Models, Molecular
  3. Quantum Theory
  4. Science & Technology
  5. Physical Sciences

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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