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Refinado por: Nome da Publicação: Journal of molecular structure. Theochem remover
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1
DFT and ab initio potential energy scan and hydrogen bond analysis of N α-substituted hydrazino acetamides: Characterization of the “hydrazinoturn” hydrogen bonding pattern
DFT and ab initio potential energy scan and hydrogen bond analysis of N α-substituted hydrazino acetamides: Characterization of the “hydrazinoturn” hydrogen bonding pattern
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DFT and ab initio potential energy scan and hydrogen bond analysis of N α-substituted hydrazino acetamides: Characterization of the “hydrazinoturn” hydrogen bonding pattern

Dabbagh, Hossein A. ; Rasti, Elham ; Hocquet, Alexandre ; Le Grel, Philippe

Journal of molecular structure. Theochem, 2009-10, Vol.911 (1), p.92-97

Elsevier B.V

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2
Computational study of pyrylium cation-water complexes hydrogen bonds, resonance effects, and aromaticity
Computational study of pyrylium cation-water complexes hydrogen bonds, resonance effects, and aromaticity
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Computational study of pyrylium cation-water complexes hydrogen bonds, resonance effects, and aromaticity

Renato L. T. Parreira Sérgio Emanuel Galembeck

Journal of Molecular Structure: Theochem Amsterdam v. 760, p. 59-73, 2006

Amesterdam 2006

Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto    (pcd 1517729 )(Acessar)

3
Computational study of pyrylium cation-water complexes hydrogen bonds, resonance effects, and aromaticity
Computational study of pyrylium cation-water complexes hydrogen bonds, resonance effects, and aromaticity
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Computational study of pyrylium cation-water complexes hydrogen bonds, resonance effects, and aromaticity

Renato L. T. Parreira Sérgio Emanuel Galembeck

Journal of Molecular Structure: Theochem Amsterdam v. 760, p. 59-73, 2006

Amesterdam 2006

Localização: FFCLRP - Fac. Fil. Ciên. Let. de R. Preto    (pcd 1517729 )(Acessar)

4
Density functional theory calculations of hydrogen bonding energies of drug molecules
Density functional theory calculations of hydrogen bonding energies of drug molecules
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Density functional theory calculations of hydrogen bonding energies of drug molecules

Bondesson, Laban ; Mikkelsen, Kurt V. ; Luo, Yi ; Garberg, Per ; Ågren, Hans

Journal of molecular structure, 2006-11, Vol.776 (1), p.61-68 [Periódico revisado por pares]

Elsevier B.V

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5
Theoretical analysis of the hydrogen bond interaction between acetone and water
Theoretical analysis of the hydrogen bond interaction between acetone and water
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Theoretical analysis of the hydrogen bond interaction between acetone and water

Kaline Rabelo Coutinho Nestor Saavedra; Sylvio Canuto

Journal of Molecular Structure (THEOCHEM) Amsterdam v. 466, p. 69-75, 1999

Amsterdam 1999

Acesso online

6
Hydrogen bonds, improper hydrogen bonds and dihydrogen bonds
Hydrogen bonds, improper hydrogen bonds and dihydrogen bonds
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Hydrogen bonds, improper hydrogen bonds and dihydrogen bonds

Govender, Maganthran G. ; Ford, Thomas A.

Journal of molecular structure. Theochem, 2003-07, Vol.630 (1), p.11-16

Elsevier B.V

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7
Investigation of C–H⋯X (X=N, O, S) intramolecular hydrogen bond in 1-vinyl-2-(2′-heteroaryl)pyrroles by ab initio calculations
Investigation of C–H⋯X (X=N, O, S) intramolecular hydrogen bond in 1-vinyl-2-(2′-heteroaryl)pyrroles by ab initio calculations
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Investigation of C–H⋯X (X=N, O, S) intramolecular hydrogen bond in 1-vinyl-2-(2′-heteroaryl)pyrroles by ab initio calculations

Afonin, A.V. ; Toryashinova, D-S.D. ; Schmidt, E.Yu

Journal of molecular structure. Theochem, 2004-07, Vol.680 (1), p.127-135

Elsevier B.V

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8
A study of the intramolecular hydrogen bond in acylphloroglucinols
A study of the intramolecular hydrogen bond in acylphloroglucinols
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A study of the intramolecular hydrogen bond in acylphloroglucinols

Mammino, Liliana ; Kabanda, Mwadham M.

Journal of molecular structure. Theochem, 2009-05, Vol.901 (1), p.210-219

Elsevier B.V

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9
Hydrogen bonding interactions in cysteine–urea complexes: Theoretical studies of structures, properties and topologies
Hydrogen bonding interactions in cysteine–urea complexes: Theoretical studies of structures, properties and topologies
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Hydrogen bonding interactions in cysteine–urea complexes: Theoretical studies of structures, properties and topologies

Huang, Zhengguo ; Yu, Lei ; Dai, Yumei ; Wang, Hongke

Journal of molecular structure. Theochem, 2010-11, Vol.960 (1), p.98-105

Elsevier B.V

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10
Density functional theory study on hydrogen bonding interaction of luteolin–(H 2O) n
Density functional theory study on hydrogen bonding interaction of luteolin–(H 2O) n
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Density functional theory study on hydrogen bonding interaction of luteolin–(H 2O) n

Li, Lai-Cai ; Hu, Feng ; Cai, Wan-Fei ; Tian, An-Min ; Wong, Ning-Bew

Journal of molecular structure. Theochem, 2009-10, Vol.911 (1), p.98-104

Elsevier B.V

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Deste Autor:

  1. Galembeck, S
  2. Saavedra, N
  3. Coutinho, K
  4. Canuto, S
  5. Parreira, R

Neste Assunto:

  1. Chemistry
  2. Physical Sciences
  3. Science & Technology
  4. Chemistry, Physical
  5. Exact Sciences And Technology

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

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