Theoretical Study on Homogeneous Hydrogen Activation Catalyzed by Cationic Ag(I) Complex

Organometallics ◽

10.1021/om500921d ◽

2014 ◽

Vol 33 (22) ◽

pp. 6577-6584 ◽

Author(s):

Yuan-Ye Jiang ◽

Hai-Zhu Yu ◽

Yao Fu

Keyword(s):

Theoretical Study ◽

Hydrogen Activation

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Theoretical study of hydrogen activation in a hematite cluster

Journal of Molecular Catalysis ◽

10.1016/0304-5102(90)85213-2 ◽

1990 ◽

Vol 62 (2) ◽

pp. 199-213 ◽

Author(s):

L.J. Rodríguez ◽

F. Ruette ◽

M. Rosa-Brussin

Keyword(s):

Theoretical Study ◽

Hydrogen Activation

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Hydrogen activation by isomeric aromatic phosphabenzene: A theoretical study

10.1016/j.poly.2019.06.045 ◽

2019 ◽

Vol 170 ◽

pp. 690-694

Author(s):

Sabnam S. Ullah ◽

Chayanika Kashyap ◽

Shahnaz S. Rohman ◽

Ankur Kanti Guha

Keyword(s):

Theoretical Study ◽

Hydrogen Activation

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Novel group 13 Lewis superacids and 13–15 donor–acceptor cryptands for hydrogen activation: a theoretical study

Physical Chemistry Chemical Physics ◽

10.1039/c2cp41795b ◽

2012 ◽

Vol 14 (43) ◽

pp. 14911 ◽

Author(s):

Alexey Y. Timoshkin ◽

Keiji Morokuma

Keyword(s):

Theoretical Study ◽

Hydrogen Activation ◽

Group 13 ◽

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A systematic theoretical study of hydrogen activation, spillover and desorption in single-atom alloys

Applied Catalysis A General ◽

10.1016/j.apcata.2020.117948 ◽

2021 ◽

Vol 610 ◽

pp. 117948

Author(s):

Guo-Chen Zhao ◽

Yong-Qing Qiu ◽

Chun-Guang Liu

Keyword(s):

Theoretical Study ◽

Single Atom ◽

Hydrogen Activation ◽

Single Atom Alloys

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Carbon–Hydrogen Activation in Zerovalent Bis(1,5-cyclooctadiene) Complexes of the First Row Transition Metals: A Theoretical Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b12435 ◽

2018 ◽

Vol 122 (12) ◽

pp. 3280-3286

Author(s):

Jia Hu ◽

Hao Feng ◽

Yaoming Xie ◽

R. Bruce King ◽

Henry F. Schaefer

Keyword(s):

Transition Metals ◽

Theoretical Study ◽

Hydrogen Activation

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Hydrogen activation and aldehyde elimination promoted by homogeneous Pt–Sn catalyst: a theoretical study

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2004.02.012 ◽

2004 ◽

Vol 677 (1-3) ◽

pp. 133-143 ◽

Author(s):

Willian R. Rocha

Keyword(s):

Theoretical Study ◽

Hydrogen Activation

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The effect of cardiac output changes on end-expired volatile anaesthetic concentrations - a theoretical study

Anaesthesia ◽

10.1046/j.1365-2044.2001.02212.x ◽

2001 ◽

Vol 56 (11) ◽

pp. 1034-1040 ◽

Author(s):

R. R. Kennedy ◽

A. B. Baker

Keyword(s):

Cardiac Output ◽

Theoretical Study ◽

Volatile Anaesthetic

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Theoretical study of ground and excited state potential energy surfaces for the Ca + -H 2 complex

Molecular Physics ◽

10.1080/002689700162414 ◽

2000 ◽

Vol 98 (7) ◽

pp. 419-427 ◽

Author(s):

E. Czuchaj, M. Krosnicki, H. Stoll

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

State Potential ◽

Energy Surfaces

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RESEARCH NOTE Theoretical study of the CH3 + NS and related reactions: mechanism of HCN formation

Molecular Physics ◽

10.1080/002689799164261 ◽

1999 ◽

Vol 96 (12) ◽

pp. 1817-1822

Author(s):

TRUNG NGOC LE, LOC THANH NGUYEN, MINH THO

Keyword(s):

Theoretical Study ◽

Research Note ◽

Reactions Mechanism

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Molecular Ordering of a Nematogen at Phase Transition Temperature - A Theoretical Study

Phase Transitions ◽

10.1080/01411590290008352a ◽

2002 ◽

Vol 75 (4-5) ◽

pp. 413-421

Author(s):

Durga Prasad Ojha ◽

Devesh Kumar ◽

V.G.K.M. Pisipati

Keyword(s):

Phase Transition ◽

Transition Temperature ◽

Phase Transition Temperature ◽

Theoretical Study ◽

Molecular Ordering

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