scholarly journals Effect of Isotopically Sensitive Branching on Product Distribution for Pentalenene Synthase: Support for a Mechanism Predicted by Quantum Chemistry

2012 ◽  
Vol 134 (28) ◽  
pp. 11369-11371 ◽  
Author(s):  
Liansuo Zu ◽  
Meimei Xu ◽  
Michael W. Lodewyk ◽  
David E. Cane ◽  
Reuben J. Peters ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Product Distribution ◽  
Pentalenene Synthase

Use of thermomechanical pulp fibers from waste woods for making eco-friendly cushioning material

TAPPI Journal ◽  
2010 ◽  
Vol 9 (7) ◽  
pp. 15-21 ◽  
Author(s):  
JI-YOUNG LEE ◽  
CHUL-HWAN KIM ◽  
JEONG-MIN SEO ◽  
HO-KYUNG CHUNG ◽  
KYUNG-KIL BACK ◽  
...  
Keyword(s):  
Impact Test ◽  
Product Distribution ◽  
Expanded Polystyrene ◽  
Thermomechanical Pulp ◽  
Fiber Structure ◽  
Pulp Fibers ◽  
Cationic Starch ◽  
Thermal Insulating ◽  
Surface Sizing ◽  
The Impact

Eco-friendly cushioning materials were made with thermomechanical pulps (TMPs) from waste woods collected from local mountains in Korea, using a suction-forming method without physical pressing. The TMP cushions had superior shock-absorbing performance, with lower elastic moduli than expanded polystyrene (EPS) or molded pulp. Even though the TMP cushions made using various suction times had many voids in their inner fiber structure, their apparent densities were a little higher than that of EPS and much lower than that of molded pulp. The addition of cationic starch contributed to an increase in the elastic modulus of the TMP cushions without increasing the apparent density, an effect which was different from that of surface sizing with starch. In the impact test, the TMP cushions showed a more ductile pattern than the brittle EPS. The porosity of the TMP cushion was a little less than that of EPS and much greater than that of molded pulp. The porous structure of the TMP cushions contributed to their excellent thermal insulating capacity, which was equivalent to that of EPS. In summary, the TMP packing cushions showed great potential for surviving external impacts during product distribution.

Quantum Chemistry.

1958 ◽  
Vol 17 (3_4) ◽  
pp. 279-280
Author(s):  
Th. Förster
Keyword(s):  
Quantum Chemistry

Propagators in Quantum Chemistry

1975 ◽  
Vol 95 (4-6) ◽  
pp. 318-319
Author(s):  
W. A. Bingel
Keyword(s):  
Quantum Chemistry

An NBO-TS predictive approach for torquoselectivity of ring opening in 3-substituted cyclobutenes

2017 ◽  
Author(s):  
Arpita Yadav ◽  
Dasari L V K Prasad ◽  
Veejendra Yadav
Keyword(s):  
Transition State ◽  
Ring Opening ◽  
Natural Bond Orbital ◽  
Theoretical Calculations ◽  
Lone Pair ◽  
Product Distribution ◽  
Acceptor Substituent ◽  
Important Contributor ◽  
Predictive Approach ◽  
Donor Substituent

<p>The torquoselectivity, the inward or outward ring opening of 3-substituted cyclobutenes, is conventionally guided by the donor and/or acceptor ability of the substituent (S). It is typically predicted by estimating the respective ring opening transition state (TS) barriers. While there is no known dissent in regard to the outward rotation of electron-rich substituents from the approaches of TS calculations, the inward rotation was predicted for some electron-accepting substituents and outward for others. To address this divergence in predicting the torquoselectivity, we have used reliable orbital descriptors through natural bond orbital theoretical calculations and demonstrated that (a) interactions <i>n</i><i><sub>S</sub></i>→s*<sub>C3C4</sub> for a lone pair containing substituent, s<sub>S</sub>→s*<sub>C3C4</sub> for a s-donor substituent, s<sub>C3C4</sub>→p*<sub>S</sub> for a resonance-accepting substituent and s<sub>C3C4</sub>→s*<sub>S</sub> for a s-acceptor substituent constitute the true electronic controls of torquoselectivity, and (b) reversibility of the ring opening event is an additional important contributor to the observed product distribution.</p>

Performance analysis and middleware assisted adaptation for quantum chemistry computations

2009 ◽  
Author(s):  
Lakshminarasimhan Seshagiri
Keyword(s):  
Performance Analysis ◽  
Quantum Chemistry

A diatribe in quantum chemistry

2000 ◽  
Author(s):  
Vassiliki-Alexandra Glezakou
Keyword(s):  
Quantum Chemistry

The Donation System and Product Distribution of Jeju in the 18th Century

2019 ◽  
Vol 186 ◽  
pp. 1-27
Author(s):  
Uk Lee
Keyword(s):  
18Th Century ◽  
Product Distribution

Analytical Methods Using Slater-Type Orbitals in Quantum Chemistry

1992 ◽  
Author(s):  
H. W. Jones ◽  
C. A. Weatherford
Keyword(s):  
Quantum Chemistry ◽  
Analytical Methods ◽  
Slater Type Orbitals ◽  
Slater Type
Sign in / Sign up

Export Citation Format

Share Document