Theoretical study on water behavior on the copper surfaces

Journal of Molecular Modeling ◽

10.1007/s00894-021-04751-y ◽

2021 ◽

Vol 27 (5) ◽

Author(s):

Xuejie Hou ◽

Lingxi Qi ◽

Wenzuo Li ◽

Jin Zhao ◽

Shaoli Liu

Keyword(s):

Theoretical Study ◽

Copper Surfaces ◽

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Theoretical study of benzene and pyridine STM-induced reactions on copper surfaces

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/20/22/224012 ◽

2008 ◽

Vol 20 (22) ◽

pp. 224012 ◽

Author(s):

H Lesnard ◽

N Lorente ◽

M-L Bocquet

Keyword(s):

Theoretical Study ◽

Copper Surfaces

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A theoretical study on the cyclopropane adsorption onto the copper surfaces by density functional theory and quantum chemical molecular dynamics methods

Journal of Molecular Catalysis A Chemical ◽

10.1016/j.molcata.2004.04.044 ◽

2004 ◽

Vol 220 (2) ◽

pp. 189-198 ◽

Author(s):

Xiaojing Wang ◽

Parasuraman Selvam ◽

Chen Lv ◽

Momoji Kubo ◽

Akira Miyamoto

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Quantum Chemical ◽

Density Functional ◽

Theoretical Study ◽

Functional Theory ◽

Copper Surfaces ◽

Molecular Dynamics Methods ◽

Quantum Chemical Molecular Dynamics

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Theoretical study of CO chemisorption on nickel and copper surfaces

The Journal of Chemical Physics ◽

10.1063/1.436723 ◽

1978 ◽

Vol 69 (4) ◽

pp. 1755-1763 ◽

Author(s):

H. L. Yu

Keyword(s):

Theoretical Study ◽

Copper Surfaces ◽

Co Chemisorption

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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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Theoretical study of C60O2 molecular properties

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04855-5 ◽

1997 ◽

Vol 392 (1) ◽

pp. 217-221 ◽

Author(s):

S Zhenfeng

Keyword(s):

Theoretical Study ◽

Molecular Properties

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Adsorption of H2O and H2S on the (100) surface of silicon. A theoretical study

Journal de Chimie Physique ◽

10.1051/jcp/1987840799 ◽

1987 ◽

Vol 84 ◽

pp. 799-803 ◽

Author(s):

Vincenzo Barone ◽

Francesco Lelj ◽

Nino Russo ◽

Marirosa Toscano

Keyword(s):

Theoretical Study

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Theoretical study of the homologous reactions of ground-state oxygen atoms with Br2 and BrCI molecules

Journal de Chimie Physique ◽

10.1051/jcp/1995921214 ◽

1995 ◽

Vol 92 ◽

pp. 1214-1232 ◽

Author(s):

E Drougas ◽

AM Kosmas

Keyword(s):

Ground State ◽

Theoretical Study ◽

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