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1
The analysis of linear partial differential operators IV Fourier integral operators
The analysis of linear partial differential operators IV Fourier integral operators
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The analysis of linear partial differential operators IV Fourier integral operators

Lars Hörmander

Berlin Springer 2009

Localização: IFSC - Inst. Física de São Carlos    (515.35 H812a v.4 ) e outros locais(Acessar)

2
On the microwave-assisted synthesis of acylphenothiazine derivatives Experiment versus theory synergism
On the microwave-assisted synthesis of acylphenothiazine derivatives Experiment versus theory synergism
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On the microwave-assisted synthesis of acylphenothiazine derivatives Experiment versus theory synergism

Gaina, Luiza ; Porumb, Dan ; Silaghi-Dumitrescu, Ioan ; Cristea, Castelia ; Silaghi-Dumitrescu, Luminita

Canadian journal of chemistry, 2010-01, Vol.88 (1), p.42-49 [Periódico revisado por pares]

Ottawa: Canadian Science Publishing NRC Research Press

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3
Revisiting the tellurium clusters (Ten; n = 2–8) using ab initio methods
Revisiting the tellurium clusters (Ten; n = 2–8) using ab initio methods
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Revisiting the tellurium clusters (Ten; n = 2–8) using ab initio methods

Abdallah, Hassan H

Canadian journal of physics, 2020, Vol.98 (1), p.57-64 [Periódico revisado por pares]

Ottawa: NRC Research Press

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4
Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone
Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone
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Comparative study of DFT/B3LYP, B3PW91, and HSEH1PBE methods applied to molecular structures and spectroscopic and electronic properties of flufenpyr and amipizone

Avcı, D ; Bahçeli, S ; Tamer, Ö ; Atalay, Y

Canadian journal of chemistry, 2015-10, Vol.93 (10), p.1147-1156 [Periódico revisado por pares]

Ottawa: NRC Research Press

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5
Experimental and computational investigations of platinum complexes of selenium diimide and some novel selenium–nitrogen ligands
Experimental and computational investigations of platinum complexes of selenium diimide and some novel selenium–nitrogen ligands
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Experimental and computational investigations of platinum complexes of selenium diimide and some novel selenium–nitrogen ligands

Karhu, Aino J ; Risto, Maarit ; Rautiainen, J. Mikko ; Oilunkaniemi, Raija ; Chivers, Tristram ; Laitinen, Risto S

Canadian journal of chemistry, 2016-04, Vol.94 (4), p.342-351 [Periódico revisado por pares]

Ottawa: NRC Research Press

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6
A time-dependent density functional theory (TDDFT) interpretation of the optical spectra of zinc phthalocyanine -cation and -anion radicals1
A time-dependent density functional theory (TDDFT) interpretation of the optical spectra of zinc phthalocyanine -cation and -anion radicals1
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A time-dependent density functional theory (TDDFT) interpretation of the optical spectra of zinc phthalocyanine -cation and -anion radicals1

Rosa, Angela ; Ricciardi, Giampaolo

Canadian journal of chemistry, 2009-07, Vol.87 (7), p.994-1005 [Periódico revisado por pares]

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7
A density functional theory and spectroscopic study of intramolecular quenching of metal-to-ligand charge-transfer excited states in some mono-bipyridine ruthenium(II) complexes
A density functional theory and spectroscopic study of intramolecular quenching of metal-to-ligand charge-transfer excited states in some mono-bipyridine ruthenium(II) complexes
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A density functional theory and spectroscopic study of intramolecular quenching of metal-to-ligand charge-transfer excited states in some mono-bipyridine ruthenium(II) complexes

Mazumder, Shivnath ; Thomas, Ryan A ; Lord, Richard L ; Schlegel, H. Bernhard ; Endicott, John F

Canadian journal of chemistry, 2014-10, Vol.92 (10), p.996-1009 [Periódico revisado por pares]

Ottawa: NRC Research Press

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8
Are the amide bonds in N-acyl imidazoles twisted? A combined solid-state 17O NMR, crystallographic, and computational study
Are the amide bonds in N-acyl imidazoles twisted? A combined solid-state 17O NMR, crystallographic, and computational study
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Are the amide bonds in N-acyl imidazoles twisted? A combined solid-state 17O NMR, crystallographic, and computational study

Kong, Xianqi ; Tang, Aaron ; Wang, Ruiyao ; Ye, Eric ; Terskikh, Victor ; Wu, Gang

Canadian journal of chemistry, 2015, Vol.93 (4), p.451-458 [Periódico revisado por pares]

Ottawa: NRC Research Press

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9
Computational studies of energetics, electronic structure, and vibrational spectra of PETN nanoparticles
Computational studies of energetics, electronic structure, and vibrational spectra of PETN nanoparticles
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Computational studies of energetics, electronic structure, and vibrational spectra of PETN nanoparticles

Ma, Qiannan ; Zhu, Weihua

Canadian journal of chemistry, 2021, Vol.99 (1), p.63-71 [Periódico revisado por pares]

1840 Woodward Drive, Suite 1, Ottawa, ON K2C 0P7: NRC Research Press

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10
Spectroscopic investigation, HOMO–LUMO energies, natural bond orbital (NBO) analysis and thermodynamic properties of two-armed macroinitiator containing coumarin with DFT quantum chemical calculations
Spectroscopic investigation, HOMO–LUMO energies, natural bond orbital (NBO) analysis and thermodynamic properties of two-armed macroinitiator containing coumarin with DFT quantum chemical calculations
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Spectroscopic investigation, HOMO–LUMO energies, natural bond orbital (NBO) analysis and thermodynamic properties of two-armed macroinitiator containing coumarin with DFT quantum chemical calculations

Akman, Feride

Canadian journal of physics, 2016-06, Vol.94 (6), p.583-593 [Periódico revisado por pares]

Ottawa: NRC Research Press

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Deste Autor:

  1. Hörmander, L

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  1. Density Functional Theory
  2. Science & Technology
  3. Physical Sciences
  4. Chemistry
  5. Chemistry, Multidisciplinary

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