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Publication search results
found 30 matches
- 2024
- Kimihiko Hirao, Takahito Nakajima, Bun Chan, Ho-Jin Lee:
The verification of delta SCF and Slater's transition state theory for the calculation of core ionization energy. J. Comput. Chem. 45(3): 183-192 (2024) - 2023
- Barbara Haas Margolius:
The periodic steady-state solution for queues with Erlang arrivals and service and time-varying periodic transition rates. Queueing Syst. Theory Appl. 103(1-2): 45-94 (2023) - 2022
- Po-Keng Cheng:
Transitions among states behind interactive agent model. Comput. Math. Organ. Theory 28(1): 27-51 (2022) - Michael Maihöfer, Johannes Reiff, Jörg Main, Rigoberto Hernandez:
Transition state theory characterizes thin film macrospin dynamics driven by an oscillatory magnetic field: Inertial effects. Commun. Nonlinear Sci. Numer. Simul. 115: 106764 (2022) - Sibo Lin, Mohamed Elanany, Motaz Khawaji:
XTBDFT: Automated workflow for conformer searching of minima and transition states powered by extended tight binding and density functional theory. SoftwareX 20: 101242 (2022) - 2020
- Edson F. V. de Carvalho, Guilherme D. Vicentini, Tiago Vinicius Alves, Orlando Roberto-Neto:
Variational transition state theory rate constants and H/D kinetic isotope effects for CH3 + CH3OCOH reactions. J. Comput. Chem. 41(3): 231-239 (2020) - Alex Root:
Do cells use passwords in cell-state transitions? Is cell signaling sometimes encrypted? Theory Biosci. 139(1): 87-93 (2020) - 2019
- Sérgio Guerreiro:
(Re)Designing Business Processes Using Markov Theory and Constrained State, Transition and Actor Role Spaces. Int. J. Knowl. Based Organ. 9(2): 43-61 (2019) - Piers A. Townsend, Matthew N. Grayson:
Density Functional Theory Transition-State Modeling for the Prediction of Ames Mutagenicity in 1, 4 Michael Acceptors. J. Chem. Inf. Model. 59(12): 5099-5103 (2019) - Valter H. Carvalho-Silva, Eduardo C. Vaz, Nayara D. Coutinho, Hikaru Kobayashi, Yuki Kobayashi, Toshio Kasai, Federico Palazzetti, Andrea Lombardi, Vincenzo Aquilanti:
The Increase of the Reactivity of Molecular Hydrogen with Hydroxyl Radical from the Gas Phase versus an Aqueous Environment: Quantum Chemistry and Transition State-Theory Calculations. ICCSA (6) 2019: 450-459 - 2018
- Lei Zhang, Rafael de la Llave:
Transition state theory with quasi-periodic forcing. Commun. Nonlinear Sci. Numer. Simul. 62: 229-243 (2018) - Diego Fasoli, Anna Cattani, Stefano Panzeri:
Transitions between asynchronous and synchronous states: a theory of correlations in small neural circuits. J. Comput. Neurosci. 44(1): 25-43 (2018) - 2017
- Valter H. Carvalho-Silva, Vincenzo Aquilanti, Heibbe C. B. de Oliveira, Kleber C. Mundim:
Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime. J. Comput. Chem. 38(3): 178-188 (2017) - Katherine Newhall, Eric Vanden-Eijnden:
Metastability of the Nonlinear Wave Equation: Insights from Transition State Theory. J. Nonlinear Sci. 27(3): 1007-1042 (2017) - 2015
- Andrew Binder, Mitchell Luskin, Danny Perez, Arthur F. Voter:
Analysis of Transition State Theory Rates upon Spatial Coarse-Graining. Multiscale Model. Simul. 13(3): 890-915 (2015) - 2013
- Maggie Ng, Daniel K. W. Mok, Edmond P. F. Lee, John M. Dyke:
Rate coefficients of the CF3CHFCF3 + H → CF3CFCF3 + H2 reaction at different temperatures calculated by transition state theory with ab initio and DFT reaction paths. J. Comput. Chem. 34(7): 545-557 (2013) - Jiangchuan Wen, John Nelson:
Modelling and performance analysis of an adaptive state-transition approach for power saving in Bluetooth. Simul. Model. Pract. Theory 31: 77-95 (2013) - 2012
- Chanda-Malis Ouk, Natalia Zvereva-Loëte, Yohann Scribano, Béatrice Bussery-Honvault:
Transition state theory thermal rate constants and RRKM-based branching ratios for the N(2D) + CH4 reaction based on multi-sState and multi-reference Ab Initio calculations of interest for the titan's chemistry. J. Comput. Chem. 33(28): 2211-2224 (2012) - 2011
- Juan Manuel Ramírez-Anguita, Àngels González-Lafont, José M. Lluch:
Variational transition-state theory study of the rate constant of the DMS·OH scavenging reaction by O2. J. Comput. Chem. 32(10): 2104-2118 (2011) - 2010
- Mohamad Akbar Ali, B. Rajakumar:
Rate coefficients for the reaction of OH with CF3CH2CH3 (HFC-263fb) between 200 and 400 K: Ab initio, DFT, and transition state theory calculations. J. Comput. Chem. 31(3): 500-509 (2010) - Wolfgang Quapp, Alraune Zech:
Transition state theory with Tsallis statistics. J. Comput. Chem. 31(3): 573-585 (2010) - 2007
- Yao-Yuan Chuang:
Calculating rate constants with updated Hessians using variational transition state theory with multidimensional tunneling. J. Comput. Chem. 28(11): 1809-1816 (2007) - Hermann Gruber, Markus Holzer:
Inapproximability of Nondeterministic State and Transition Complexity Assuming P=!NP. Developments in Language Theory 2007: 205-216 - 1999
- Fang-Wei Fu, A. J. Han Vinck:
On the Capacity of Generalized Write-Once Memory with State Transitions Described by an Arbitrary Directed Acyclic Graph. IEEE Trans. Inf. Theory 45(1): 308-313 (1999) - 1996
- Stanislaw Oldziej, Jerzy Ciarkowski:
Mechanism of action of aspartic proteinases: Application of transition-state analogue theory. J. Comput. Aided Mol. Des. 10(6): 583-588 (1996) - 1994
- Peter Vanbekbergen, Bill Lin, Gert Goossens, Hugo De Man:
A generalized state assignment theory for transformations on signal transition graphs. J. VLSI Signal Process. 7(1-2): 101-115 (1994) - 1993
- Michael Huth:
On the Equivalence of State-Transition Systems. Theory and Formal Methods 1993: 171-182 - 1992
- Peter Vanbekbergen, Bill Lin, Gert Goossens, Hugo De Man:
A generalized state assignment theory for transformation on signal transition graphs. ICCAD 1992: 112-117 - 1988
- Ofer Zeitouni, Amir Dembo:
Exact filters for the estimation of the number of transitions of finite-state continuous-time Markov processes. IEEE Trans. Inf. Theory 34(4): 890-893 (1988) - 1970
- R. L. Kashyap:
Identification of a transition matrix of a Markov chain from noisy measurements of state. IEEE Trans. Inf. Theory 16(2): 161-166 (1970)
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