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[PDF] Top 20 Rotational and vibronic effects in molecular electronic spectra

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Rotational and vibronic effects in molecular electronic spectra

Rotational and vibronic effects in molecular electronic spectra

... Single crystals of purine were made by rapid sublimation of a commercial sample (Fluka A.G., puriss grade, 99.5% pure). This is a somewhat tricky operation: the heating must border on violence. The largest crystals had ... See full document

185

Extraction of Pure-electronic Transition Frequency and Chromophor Polymorphism from Diffuse Vibronic Spectra

Extraction of Pure-electronic Transition Frequency and Chromophor Polymorphism from Diffuse Vibronic Spectra

... purely electronic, 0–0-transitions could be determined from continuous diffuse crossection spectra of only absorption or only emission (fluorescence, phosphorescence) for homomorphic chromophors (molecules, ... See full document

7

Effects of Confinement on Structural Stability and Electronic Structure of Sodium Clusters

Effects of Confinement on Structural Stability and Electronic Structure of Sodium Clusters

... eigenvalue spectra, molecular orbitals and charge density to examine the stability and electronic properties of the sodium ...of electronic levels, the increase in spacing between the energy ... See full document

6

Franck Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity

Franck Condon simulation of the single vibronic level emission spectra of HSiF and DSiF including anharmonicity

... observed spectra cannot indicate the directions of the changes 共 ...two electronic states involved in the elec- tronic transition, which did not have its geometry derived experimentally, was usually based ... See full document

14

The Elemental Doping Effects on the Vibronic Properties of Nd: KTP Nanocrystallites

The Elemental Doping Effects on the Vibronic Properties of Nd: KTP Nanocrystallites

... the molecular structures and accordingly the phononic properties of the nanocrystalites were ...Raman spectra of the synthesized nanocrystallite can be ... See full document

6

Surface-Bound Molecular Film Structure Effects on Electronic and Magnetic Properties.

Surface-Bound Molecular Film Structure Effects on Electronic and Magnetic Properties.

... a molecular film growth chamber (base pressure < 1 × 10 −7 torr) with home-built sublimation sources monitored by quartz ...dI/dV spectra operating with a modulation frequency of 10 kHz and amplitude of ... See full document

86

The Effects of Oxidation States, Spin States and Solvents on Molecular Structure, Stability and Spectroscopic Properties of Fe Catechol Complexes: A Theoretical Study

The Effects of Oxidation States, Spin States and Solvents on Molecular Structure, Stability and Spectroscopic Properties of Fe Catechol Complexes: A Theoretical Study

... the electronic transitions, five frontier MOs were pictorized ranging from the highest occupied MO-2(HOMO-2) to the lowest unoccupied MO + 1(LUMO + 1) (Figure ...UV-vis spectra has originated clearly from ... See full document

17

Synthetic Approaches and Electronic Spectra of Some New Butamethine Asycyanine Colorants

Synthetic Approaches and Electronic Spectra of Some New Butamethine Asycyanine Colorants

... electronic spectra. All the colorants showed increase in electronic spectra whether electron withdrawing or ...the electronic spectra ...of electronic spectra ... See full document

5

 PHYTOCHEMISTRY AND BIOINFORMATICS APPROACH FOR THE EVALUATION OF MEDICINAL PROPERTIES OF THE HERB, EXACUM BICOLOR ROXB.

 PHYTOCHEMISTRY AND BIOINFORMATICS APPROACH FOR THE EVALUATION OF MEDICINAL PROPERTIES OF THE HERB, EXACUM BICOLOR ROXB.

... pharmacological effects, toxicity, molecular mechanisms of and drug likeness of compounds are presented in Table ...thirty molecular mechanisms of action of compounds which cause antihypertensive ... See full document

6

Calculating The Absorption Population And Maximum Quantum Number Of Electronic States Of Isotopic H 1F19 And H2F19 Of Hydrogen Fluoride Molecules

Calculating The Absorption Population And Maximum Quantum Number Of Electronic States Of Isotopic H 1F19 And H2F19 Of Hydrogen Fluoride Molecules

... A computational programs similar to that carried out by Al- Amiedy [13] using (4) For a H 1 F 19 and H 2 F 19 molecule with the bond lengths of 0.917Å (X state), 2.0 Å (B state) for measured in (amu) unit, by ... See full document

5

From fundamental science to product : a bottom up approach to sunscreen development

From fundamental science to product : a bottom up approach to sunscreen development

... inform molecular structure manipulation of sunscreen molecules in order to enhance energy redistribution mechanisms or hinder relaxation pathways that may lead to undesirable side chemistry (such as degradation) ... See full document

20

Synthesis and characterization of some transition metal (II) complexes with 1,2,4 triazole schiff base

Synthesis and characterization of some transition metal (II) complexes with 1,2,4 triazole schiff base

... The electronic spectra of the Schiff base ligand and all complexes in 10 -3 M DMSO solution at room temperature and resulting data are listed in Table ...the spectra of metal complexes while the ... See full document

5

Coordination and Redox Chemistries of the Rare Earths Within Redox Active Nitroxide Ligand Frameworks

Coordination and Redox Chemistries of the Rare Earths Within Redox Active Nitroxide Ligand Frameworks

... Understanding the sensitivity of Ce IV/III reduction potential to ligand field strength has yet to benefit from systematic variations of the ligand environment. Detailed analyses for a series of seven cerium(IV) ... See full document

641

The effect of molecular geometry on the electronic effects of the azo and azoxy groups

The effect of molecular geometry on the electronic effects of the azo and azoxy groups

... Hammett had noted that in reactions where a strong -R substituent was para to a strong +R reaction site, the normal op constant derived from the benzoic acid ionizations, did not fully t[r] ... See full document

196

Franck Condon simulation of the single vibronic level emission spectra of HPCI/DPCl and the chemiluminescence spectrum of HPCI, including anharmonicity

Franck Condon simulation of the single vibronic level emission spectra of HPCI/DPCl and the chemiluminescence spectrum of HPCI, including anharmonicity

... simulated spectra 共 b 兲 , 共 c 兲 , and 共 d 兲 give very long vibrational progressions with significant relative inten- sities even beyond the 5000 cm ⫺ 1 region 共 the wave number scale is displacement from the laser ... See full document

14

SYNTHESIS, SPECTRAL CHARACTERIZATION AND ANTIMICROBIAL SCREENING OF CO(II), CD(II) AND HG(II) COMPLEXES WITH N, N&#039;,   BIS (BENZYLIDENE) 1, 2 – PHENYLENEDIAMINE SCHIFF BASE

SYNTHESIS, SPECTRAL CHARACTERIZATION AND ANTIMICROBIAL SCREENING OF CO(II), CD(II) AND HG(II) COMPLEXES WITH N, N', BIS (BENZYLIDENE) 1, 2 – PHENYLENEDIAMINE SCHIFF BASE

... infrared spectra of these complexes (presented in Table-2) exhibit two bands in between 2068-2102cm -1 stretching region, clearly indicates the presence of S-bonded terminal SCN group Furthermore, the presence of ... See full document

8

Rotational Effects Of Legumes On Maize Yield

Rotational Effects Of Legumes On Maize Yield

... 2005. Effects of grain legumes and cover crops on maize yields and plant damage by Busseola fusca (Fuller) (Lepidoptera: Noctudae) in the humid forest of ... See full document

6

Vibrational Spectra and Electronic Structural Studies of Some Coumarins

Vibrational Spectra and Electronic Structural Studies of Some Coumarins

... Absorption of radiation in the Infrared (IR) region results in the excitation of bond deformation, either stretching or bending. Various stretching and bending vibrations occurs at certain quantized frequency. When IR ... See full document

15

Synchronization of Droop-Controlled Microgrids with Distributed Rotational and Electronic Generation

Synchronization of Droop-Controlled Microgrids with Distributed Rotational and Electronic Generation

... A control solution widely used to tackle this problem in large power systems is droop control [5]. Under this approach, the current value of the rotational speed of each SG in the network is monitored locally to ... See full document

7

Vibrational quantisation of the B = 7 Skyrmion

Vibrational quantisation of the B = 7 Skyrmion

... largest rotational energy and the smallest vibrational energy; rotational effects dominate for large h ¯ while vibrational effects dominate for small ... See full document

18

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