Case Study on the Effects of Molecular Structure on the Mode of Polymorphic Transition Inducing Preferential Enrichment

2008 ◽  
Vol 2008 (20) ◽  
pp. 3496-3505 ◽  
Author(s):  
Masahiro Horiguchi ◽  
Shinsuke Yabunaka ◽  
Sekai Iwama ◽  
Eiji Shimano ◽  
Zsolt Lepp ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Polymorphic Transition

Molecular structure in peripheral dog breeds: Portuguese native breeds as a case study

2009 ◽  
Vol 40 (4) ◽  
pp. 383-392 ◽  
Author(s):  
A. E. Pires ◽  
I. R. Amorim ◽  
C. Ginja ◽  
M. Gomes ◽  
I. Godinho ◽  
...  
Keyword(s):  
Molecular Structure

scholarly journals Inclusion of Relativistic Effects in Electronic Structure Calculations

1986 ◽  
Vol 39 (5) ◽  
pp. 667 ◽  
Author(s):  
KG Dyall
Keyword(s):  
Molecular Structure ◽  
Electronic Structure ◽  
Dirac Equation ◽  
Atomic Number ◽  
Perturbation Methods ◽  
Relativistic Effects ◽  
Electronic Structure Calculations ◽  
Variational Treatment ◽  
Structure Calculations

The effects of relativity on atomic and molecular structure are discussed with an indication of their importance as a function of atomic number. Perturbation methods for the inclusion of relativistic effects are briefly analysed in terms of the Dirac equation; the multi-configuration Dirac-Fock method for the variational treatment of relativistic effects is then discussed in more detail. Finally, a case study on 2p ionisation in Ca is presented, in which higher-order relativistic effects are important.

scholarly journals Accurate molecular structure and spectroscopic properties of nucleobases: a combined computational–microwave investigation of 2-thiouracil as a case study

2013 ◽  
Vol 15 (39) ◽  
pp. 16965 ◽  
Author(s):  
Cristina Puzzarini ◽  
Malgorzata Biczysko ◽  
Vincenzo Barone ◽  
Isabel Peña ◽  
Carlos Cabezas ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Spectroscopic Properties

Correlation of Molecular Structure and Charge Transport Properties: A Case Study in Naphthalenediimide-Based Copolymer Semiconductors

2018 ◽  
Vol 4 (8) ◽  
pp. 1800203 ◽  
Author(s):  
Yuanyuan Hu ◽  
Zhaojun Li ◽  
Lang Jiang ◽  
Zhuojun Chen ◽  
Lei Liao ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Charge Transport ◽  
Transport Properties

Control of the Mode of Polymorphic Transition Inducing Preferential Enrichment by Modifying the Molecular Structure or Adding Seed Crystals: Significant Influence of CH/F Hydrogen Bonds

2008 ◽  
Vol 8 (2) ◽  
pp. 540-548 ◽  
Author(s):  
Masahiro Horiguchi ◽  
Shinichiro Okuhara ◽  
Eiji Shimano ◽  
Daisuke Fujimoto ◽  
Hiroki Takahashi ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Significant Influence ◽  
Polymorphic Transition ◽  
Seed Crystals

Techniques for identifying new animal feed ingredients and additives

2021 ◽  
pp. 3-44
Author(s):  
Jordi Ortuño ◽  
◽  
Alexandros Ch. Stratakos ◽  
Katerina Theodoridou ◽  
◽  
...  
Keyword(s):  
Molecular Structure ◽  
Animal Feed ◽  
Analytical Techniques ◽  
Nutrient Digestibility ◽  
Feed Ingredients ◽  
Standard Methods ◽  
Evaluation Systems ◽  
In Vitro Methods

The identification of potential novel feed ingredients requires quick and effective analytical techniques to assess their composition and functionality. This chapter provides a practical guide to routine and standard methods to detect the main traits of interest in animal feed ingredients and additives. It discusses techniques to evaluate feed nutritional value, including chemical composition and nutrient digestibility. The chapter reviews different in vitro methods for feed evaluation systems as well as assessment of nutrient molecular structure. The chapter also discusses analysis of feed bioactive compounds and their functionality. The chapter concludes with a case study on seaweeds as a potential novel feed for livestock.

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