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 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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Quantum mechanical study of intramolecular vibrational energy redistribution in the third CH stretch overtone state in benzene

The Journal of Chemical Physics ◽

10.1063/1.479857 ◽

1999 ◽

Vol 111 (12) ◽

pp. 5617-5619 ◽

Author(s):

S. Rashev

Keyword(s):

Vibrational Energy ◽

Quantum Mechanical ◽

Energy Redistribution ◽

The Third ◽

Intramolecular Vibrational Energy Redistribution ◽

Mechanical Study ◽

Quantum Mechanical Study

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Intramolecular vibrational energy redistribution in the highly excited fluoroform molecule: A quantum mechanical study using the multiconfiguration time-dependent Hartree algorithm

The Journal of Chemical Physics ◽

10.1063/1.1668639 ◽

2004 ◽

Vol 120 (15) ◽

pp. 6992-6998 ◽

Author(s):

Christophe Iung ◽

Fabien Gatti ◽

Hans-Dieter Meyer

Keyword(s):

Vibrational Energy ◽

Time Dependent ◽

Quantum Mechanical ◽

Energy Redistribution ◽

Intramolecular Vibrational Energy Redistribution ◽

Mechanical Study ◽

Quantum Mechanical Study

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Time‐dependent quantum mechanical study of intramolecular vibrational energy redistribution in benzene

The Journal of Chemical Physics ◽

10.1063/1.465236 ◽

1993 ◽

Vol 99 (3) ◽

pp. 2261-2264 ◽

Author(s):

Christophe Iung ◽

Robert E. Wyatt

Keyword(s):

Vibrational Energy ◽

Time Dependent ◽

Quantum Mechanical ◽

Energy Redistribution ◽

Intramolecular Vibrational Energy Redistribution ◽

Mechanical Study ◽

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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Quantum mechanical study of vibrational energy transfer in Ar–O3 collisions: Influence of symmetry

The Journal of Chemical Physics ◽

10.1063/1.3126247 ◽

2009 ◽

Vol 130 (17) ◽

pp. 174311 ◽

Author(s):

M. V. Ivanov ◽

S. Yu. Grebenshchikov ◽

R. Schinke

Keyword(s):

Energy Transfer ◽

Vibrational Energy ◽

Quantum Mechanical ◽

Vibrational Energy Transfer ◽

Mechanical Study ◽

Quantum Mechanical Study

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Quantum mechanical study of intramolecular vibrational energy redistribution in the second CH stretch overtone state in benzene

The Journal of Chemical Physics ◽

10.1063/1.476595 ◽

1998 ◽

Vol 109 (2) ◽

pp. 585-591 ◽

Author(s):

S. Rashev ◽

M. Stamova ◽

L. Kancheva

Keyword(s):

Vibrational Energy ◽

Quantum Mechanical ◽

Energy Redistribution ◽

Intramolecular Vibrational Energy Redistribution ◽

Mechanical Study ◽

Quantum Mechanical Study

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Intramolecular vibrational energy redistribution in toluene: a nine-dimensional quantum mechanical study using the MCTDH algorithm

Chemical Physics ◽

10.1016/j.chemphys.2004.06.006 ◽

2004 ◽

Vol 304 (1-2) ◽

pp. 3-15 ◽

Author(s):

Fabien Gatti ◽

Hans-Dieter Meyer

Keyword(s):

Vibrational Energy ◽

Quantum Mechanical ◽

Energy Redistribution ◽

Intramolecular Vibrational Energy Redistribution ◽

Mechanical Study ◽

Quantum Mechanical Study

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