direct dynamics method Latest Research Papers

Reaction path dynamics and theoretical rate constants for the SiH 3 Cl+H→SiH 2 Cl+H 2 reaction by ab initio direct dynamics method

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(00)00745-4 ◽

2001 ◽

Vol 540 (1-3) ◽

pp. 221-229 ◽

Cited By ~ 4

Author(s):

Shen-Min Li ◽

Xin Yu ◽

Zhen-Feng Xu ◽

Ze-Sheng Li ◽

Chia-Chung Sun

Keyword(s):

Ab Initio ◽

Rate Constants ◽

Reaction Path ◽

Direct Dynamics ◽

Dynamics Method ◽

Direct Dynamics Method

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Improved Dual-Level Direct Dynamics Method for Reaction Rate Calculations with Inclusion of Multidimensional Tunneling Effects and Validation for the Reaction of H withtrans-N2H2

The Journal of Physical Chemistry A ◽

10.1021/jp972798n ◽

1997 ◽

Vol 101 (46) ◽

pp. 8741-8741 ◽

Cited By ~ 1

Author(s):

Yao-Yuan Chuang ◽

Donald G. Truhlar

Keyword(s):

Reaction Rate ◽

Direct Dynamics ◽

Multidimensional Tunneling ◽

Dynamics Method ◽

Direct Dynamics Method

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Reaction-Path Dynamics and Theoretical Rate Constants for the CH3F + Cl → HCl + CH2F Reaction by Direct Dynamics Method

Journal of the American Chemical Society ◽

10.1021/ja971185l ◽

1997 ◽

Vol 119 (38) ◽

pp. 9033-9038 ◽

Cited By ~ 18

Author(s):

Efrat Rosenman ◽

Michael L. McKee

Keyword(s):

Rate Constants ◽

Reaction Path ◽

Direct Dynamics ◽

Dynamics Method ◽

Direct Dynamics Method

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Improved Dual-Level Direct Dynamics Method for Reaction Rate Calculations with Inclusion of Multidimensional Tunneling Effects and Validation for the Reaction of H withtrans-N2H2

The Journal of Physical Chemistry A ◽

10.1021/jp970052j ◽

1997 ◽

Vol 101 (20) ◽

pp. 3808-3814 ◽

Cited By ~ 48

Author(s):

Yao-Yuan Chuang ◽

Donald G. Truhlar

Keyword(s):

Reaction Rate ◽

Direct Dynamics ◽

Multidimensional Tunneling ◽

Dynamics Method ◽

Direct Dynamics Method

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Direct Dynamics Method for the Calculation of Reaction Rates

The Reaction Path in Chemistry: Current Approaches and Perspectives ◽

10.1007/978-94-015-8539-2_10 ◽

1995 ◽

pp. 229-255 ◽

Cited By ~ 76

Author(s):

Donald G. Truhlar

Keyword(s):

Reaction Rates ◽

Direct Dynamics ◽

Dynamics Method ◽

Direct Dynamics Method

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Analysis of certain factors in the direct dynamics method: Variational rate constant of the NH3+OH→NH2+H2O reaction

The Journal of Chemical Physics ◽

10.1063/1.468065 ◽

1994 ◽

Vol 101 (10) ◽

pp. 8700-8708 ◽

Cited By ~ 15

Author(s):

J. Espinosa‐García ◽

J. C. Corchado

Keyword(s):

Rate Constant ◽

Direct Dynamics ◽

Dynamics Method ◽

Direct Dynamics Method

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Variational transition‐state theory calculation using the direct dynamics method: NH3+H→NH2+H2reaction

The Journal of Chemical Physics ◽

10.1063/1.467826 ◽

1994 ◽

Vol 101 (2) ◽

pp. 1333-1342 ◽

Cited By ~ 25

Author(s):

J. Espinosa‐García ◽

J. C. Corchado

Keyword(s):

Transition State ◽

Transition State Theory ◽

State Theory ◽

Variational Transition State Theory ◽

Direct Dynamics ◽

Theory Calculation ◽

Dynamics Method ◽

Direct Dynamics Method ◽

Variational Transition State

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direct dynamics method
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TOTAL DOCUMENTS

H-INDEX

Reaction path dynamics and theoretical rate constants for the SiH 3 Cl+H→SiH 2 Cl+H 2 reaction by ab initio direct dynamics method

Improved Dual-Level Direct Dynamics Method for Reaction Rate Calculations with Inclusion of Multidimensional Tunneling Effects and Validation for the Reaction of H withtrans-N2H2

Reaction-Path Dynamics and Theoretical Rate Constants for the CH3F + Cl → HCl + CH2F Reaction by Direct Dynamics Method

Improved Dual-Level Direct Dynamics Method for Reaction Rate Calculations with Inclusion of Multidimensional Tunneling Effects and Validation for the Reaction of H withtrans-N2H2

Direct Dynamics Method for the Calculation of Reaction Rates

Analysis of certain factors in the direct dynamics method: Variational rate constant of the NH3+OH→NH2+H2O reaction

Variational transition‐state theory calculation using the direct dynamics method: NH3+H→NH2+H2reaction

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direct dynamics methodRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Reaction path dynamics and theoretical rate constants for the SiH 3 Cl+H→SiH 2 Cl+H 2 reaction by ab initio direct dynamics method

Improved Dual-Level Direct Dynamics Method for Reaction Rate Calculations with Inclusion of Multidimensional Tunneling Effects and Validation for the Reaction of H withtrans-N2H2

Reaction-Path Dynamics and Theoretical Rate Constants for the CH3F + Cl → HCl + CH2F Reaction by Direct Dynamics Method

Improved Dual-Level Direct Dynamics Method for Reaction Rate Calculations with Inclusion of Multidimensional Tunneling Effects and Validation for the Reaction of H withtrans-N2H2

Direct Dynamics Method for the Calculation of Reaction Rates

Analysis of certain factors in the direct dynamics method: Variational rate constant of the NH3+OH→NH2+H2O reaction

Variational transition‐state theory calculation using the direct dynamics method: NH3+H→NH2+H2reaction

direct dynamics method
Recently Published Documents