Quantum mechanical study of F(2P12) + H2(j = 0) quenching: The role of virtual ortho—para mixing

Chemical Physics Letters ◽

10.1016/0009-2614(79)80700-9 ◽

1979 ◽

Vol 63 (3) ◽

pp. 503-508 ◽

Author(s):

Robert E. Wyatt

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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A quantum mechanical study of the role of out-of-plane vibrations in benzene in the intramolecular redistribution of vibrational energy

The Journal of Chemical Physics ◽

10.1063/1.477954 ◽

1999 ◽

Vol 110 (5) ◽

pp. 2489-2497 ◽

Author(s):

S. Rashev

Keyword(s):

Vibrational Energy ◽

Quantum Mechanical ◽

Mechanical Study ◽

Out Of Plane ◽

Quantum Mechanical Study

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Quantum-mechanical study of the survival probability in laser-driven molecules: The role of diagonal and off-diagonal disorder

Physical Review A ◽

10.1103/physreva.36.3743 ◽

1987 ◽

Vol 36 (8) ◽

pp. 3743-3750 ◽

Author(s):

Israel Schek ◽

Nimrod Moiseyev ◽

Robert E. Wyatt

Keyword(s):

Survival Probability ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Diagonal Disorder

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Understanding the Role of Stereoelectronic Effects in Determining Collagen Stability. 1. A Quantum Mechanical Study of Proline, Hydroxyproline, and Fluoroproline Dipeptide Analogues in Aqueous Solution

Journal of the American Chemical Society ◽

10.1021/ja010599i ◽

2001 ◽

Vol 123 (50) ◽

pp. 12568-12577 ◽

Author(s):

Roberto Improta ◽

Caterina Benzi ◽

Vincenzo Barone

Keyword(s):

Aqueous Solution ◽

Quantum Mechanical ◽

Stereoelectronic Effects ◽

Mechanical Study ◽

Dipeptide Analogues ◽

Quantum Mechanical Study ◽

Collagen Stability

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Ethylene polymerization catalyzed by metallocene/methylaluminoxane systems: quantum-mechanical study on the role of olefin separated ion pairs (OSIP) in the polymerization mechanism

Macromolecular Rapid Communications ◽

10.1002/(sici)1521-3927(19980501)19:5<257::aid-marc257>3.0.co;2-c ◽

1998 ◽

Vol 19 (5) ◽

pp. 257-262 ◽

Author(s):

Roberto Fusco ◽

Luca Longo ◽

Antonio Proto ◽

Francesco Masi ◽

Fabio Garbassi

Keyword(s):

Ethylene Polymerization ◽

Ion Pairs ◽

Quantum Mechanical ◽

Polymerization Mechanism ◽

Mechanical Study ◽

Quantum Mechanical Study

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Interaction of calcium and magnesium ions with malonate and the role of the waters of hydration: a quantum mechanical study

Journal of the American Chemical Society ◽

10.1021/ja00006a004 ◽

1991 ◽

Vol 113 (6) ◽

pp. 1892-1899 ◽

Author(s):

David W. Deerfield ◽

Douglas J. Fox ◽

Martin Head-Gordon ◽

Richard G. Hiskey ◽

Lee G. Pedersen

Keyword(s):

Quantum Mechanical ◽

Magnesium Ions ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Calcium And Magnesium ◽

Calcium And Magnesium Ions

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QUANTUM-MECHANICAL STUDY OF FRICTION IN NANOCONTACTS

Nanoscience and Technology An International Journal ◽

10.1615/nanoscitechnolintj.v8.i3.60 ◽

2017 ◽

Vol 8 (3) ◽

pp. 231-241

Author(s):

V. G. Zavodinsky ◽

O. I. Kaminsky

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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Geometry, tautomerism and non-covalent interaction of the bentiromide with carbon-nanotube and γ-Fe2O3 nanoparticles: A quantum mechanical study

Журнал структурной химии ◽

10.26902/jsc_id38794 ◽

2019 ◽

Vol 60 (1) ◽

Keyword(s):

Carbon Nanotube ◽

Quantum Mechanical ◽

Fe2o3 Nanoparticles ◽

Covalent Interaction ◽

Mechanical Study ◽

Quantum Mechanical Study

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Scaled quantum mechanical study of 2,6-difluorophenol: a fluorine-containing weak hydrogen-bonded system

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00306-0 ◽

1997 ◽

Vol 269 (5-6) ◽

pp. 393-400 ◽

Author(s):

István Macsári ◽

Vladiszlav Izvekov ◽

Attila Kovács

Keyword(s):

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

Hydrogen Bonded

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Quantum mechanical study of potential energy curves of protons in hydrogen bonds of 7-azaindole dimer in the ground and excited states

Chemical Physics Letters ◽

10.1016/0009-2614(71)80405-0 ◽

1971 ◽

Vol 11 (4) ◽

pp. 539-541 ◽

Author(s):

V.I. Pechenaya ◽

V.I. Danilov

Keyword(s):

Hydrogen Bonds ◽

Potential Energy ◽

Excited States ◽

Potential Energy Curves ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study

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Quantum mechanical study of bases interactions in various associates in atomic dipole approximation

Journal of Theoretical Biology ◽

10.1016/0022-5193(76)90172-7 ◽

1976 ◽

Vol 59 (2) ◽

pp. 303-318 ◽

Author(s):

Z.G. Kudritskaya ◽

V.I. Danilov

Keyword(s):

Dipole Approximation ◽

Quantum Mechanical ◽

Mechanical Study ◽

Quantum Mechanical Study ◽

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