Zero temperature quantum properties of small protonated water clusters (H2O)(n)H+ (n=1-5)

Zero temperature quantum properties of small protonated water clusters (H2O)(n)H+ (n=1-5)

The structure and vibrational motion of the protonated water clusters (H2O)nH+ (n=1-5) were studied using the OSS3 interaction potential and the diffusion Monte Carlo (DMC) method. The aim was to simulate their ground state eigenfunctions. An attempt was also made to compute the ground state energy...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριοι συγγραφείς:	Mella, M, Clary, D
Μορφή:	Journal article
Γλώσσα:	English
Έκδοση:	2003

Παρόμοια τεκμήρια

INTERACTION OF HCL WITH WATER CLUSTERS - (H2O)(N)HCL, N=1-3
ανά: Packer, M, κ.ά.
Έκδοση: (1995)

Nuclear quantum effects on the structure and energetics of (H2O)6H+.
ανά: Mella, M, κ.ά.
Έκδοση: (2005)

Family Clustering of Avian Influenza A (H5N1)
ανά: Sonja J. Olsen, κ.ά.
Έκδοση: (2005-11-01)

Protective efficacy of an H5/H7 trivalent inactivated vaccine (H5-Re13, H5-Re14, and H7-Re4 strains) in chickens, ducks, and geese against newly detected H5N1, H5N6, H5N8, and H7N9 viruses
ανά: Xian-ying ZENG, κ.ά.
Έκδοση: (2022-07-01)

Quantum simulation of phenol-water clusters
ανά: Benoit, D, κ.ά.
Έκδοση: (2000)

Quantum effects in the abstraction reaction by H atoms of primary and secondary hydrogens in n-C4H10: a test of a new potential energy surface construction method.
ανά: Shan, X, κ.ά.
Έκδοση: (2013)

On the weight zero compactly supported cohomology of ${\mathcal {H}}_{g,n}$
ανά: Madeline Brandt, κ.ά.
Έκδοση: (2024-01-01)

Risk distribution of human infections with avian influenza A (H5N1, H5N6, H9N2 and H7N9) viruses in China
ανά: Rongrong Qu, κ.ά.
Έκδοση: (2024-10-01)

Inactivated H5 antigens of H5N8 protect chickens from lethal infections by the highly pathogenic H5N8 and H5N6 avian influenza viruses
ανά: Jin Myongha, κ.ά.
Έκδοση: (2018-12-01)

QUANTUM REACTIVE SCATTERING OF 4-ATOM REACTIONS WITH NONLINEAR GEOMETRY - OH+H-2-]H2O+H
ανά: Clary, D
Έκδοση: (1991)

Microsolvation of a Proton by Ar Atoms: Structures and Energetics of Ar<sub>n</sub>H<sup>+</sup> Clusters
ανά: María Judit Montes de Oca-Estévez, κ.ά.
Έκδοση: (2024-08-01)

Fluorescence properties of the Na+/H+exchanger inhibitor HMA (5-(N,N-hexamethylene)amiloride) are modulated by intracellular pH
ανά: V. Giansanti, κ.ά.
Έκδοση: (2012-01-01)

Quantum dynamics of the abstraction reaction of H with cyclopropane.
ανά: Shan, X, κ.ά.
Έκδοση: (2014)

Quantum reactive scattering of H + hydrocarbon reactions.
ανά: Kerkeni, B, κ.ά.
Έκδοση: (2006)

QUANTUM SCATTERING CALCULATIONS ON H2O+H-]H2+OH AND ISOTOPES - ROTATIONAL DISTRIBUTIONS AND CROSS-SECTIONS
ανά: Nyman, G, κ.ά.
Έκδοση: (1993)

Interaction Studies of Sodium N-Dodecyl Sulphate and Protons to Nistone H1
ανά: A.A. Moosavi Movahedi, κ.ά.
Έκδοση: (1989-06-01)

A full-dimensional quantum dynamical study of vibrational relaxation in H-2+H-2
ανά: Pogrebnya, S, κ.ά.
Έκδοση: (2002)

A Model H5N2 Vaccine Strain for Dual Protection Against H5N1 and H9N2 Avian Influenza Viruses
ανά: Jin-Ha Song, κ.ά.
Έκδοση: (2024-12-01)

Comparative study of cluster- and supercell-approaches for investigating heterogeneous catalysis by electronic structure methods: tunneling in the reaction N + H --> NH on Ru(0001).
ανά: Tautermann, C, κ.ά.
Έκδοση: (2006)

5-Aminopyrazole Dimerization: Cu-Promoted Switchable Synthesis of Pyrazole-Fused Pyridazines and Pyrazines via Direct Coupling of C-H/N-H, C-H/C-H, and N-H/N-H Bonds
ανά: Yi-Xin Chai, κ.ά.
Έκδοση: (2025-01-01)

Vibrational relaxation in H-2+H-2: full-dimensional quantum dynamical study
ανά: Pogrebnya, S, κ.ά.
Έκδοση: (2003)

Structures and Properties of MgTiH<i><sub>n</sub></i> Clusters (<i>n</i> ≤ 20)
ανά: Camryn Newland, κ.ά.
Έκδοση: (2024-10-01)

Quantum dynamics study of the Langmuir-Hinshelwood H+H recombination mechanism and H-2 formation on a graphene model surface
ανά: Kerkeni, B, κ.ά.
Έκδοση: (2007)

T cell mediated immunity against influenza H5N1 nucleoprotein, matrix and hemagglutinin derived epitopes in H5N1 survivors and non-H5N1 subjects
ανά: Pirom Noisumdaeng, κ.ά.
Έκδοση: (2021-03-01)

Evaluation of Efficacy of Oil Adjuvanted H5N6 Inactivated Vaccine against Highly Pathogenic H5N6 and H5N1 Influenza Viruses Infected Chickens
ανά: Kuruppu Arachchillage Praboda Priyangi Kuruppuarachchi, κ.ά.
Έκδοση: (2022-09-01)

Comparison of patients hospitalized with influenza A subtypes H7N9, H5N1, and 2009 pandemic H1N1.
ανά: Wang, C, κ.ά.
Έκδοση: (2014)

The three newest emerging influenza H10N8, H5N6 and H6N1: comparison of its morbidity and mortality
ανά: Somsri Wiwanitkit, κ.ά.
Έκδοση: (2015-05-01)

Research of H5N6 Treatment by Comparing with H6N1 and H10N8 by Using Decision Tree and Apriori Algorithm
ανά: Kim Sunghyun, κ.ά.
Έκδοση: (2016-01-01)

Crystal structure of N,N'-diisopropyl 2-iodoferrocenecarboxamide, (C5H5)Fe(C5H3l)(C7H14NO)
ανά: Peters E.-M., κ.ά.
Έκδοση: (2001-04-01)

H5N1 viruses and vaccines.
ανά: Kanta Subbarao, κ.ά.
Έκδοση: (2007-03-01)

Influenza virus A H5N1 and H1N1: features and zoonotic potential Virus de Influenza A H5N1 y H1N1: características y potencial zoonótico Os virus da Influenza A H5N1 e H1N1: características e potencial zoonótico
ανά: Diana M Echeverry, κ.ά.
Έκδοση: (2011-12-01)

A replication-deficient H9N2 influenza virus carrying H5 hemagglutinin conferred protection against H9N2 and H5N1 influenza viruses in mice
ανά: Weigang Ren, κ.ά.
Έκδοση: (2022-11-01)

Quasiclassical trajectory study of the reaction H-2+OH->H2O+H: Comparison with quantum results
ανά: Palma, J, κ.ά.
Έκδοση: (1997)

Quantum stereodynamics of four-atom reactions: theory and application to H(2)+OH <-> H(2)O+H
ανά: Miranda, d, κ.ά.
Έκδοση: (1999)

Induction of Influenza (H5N8) Antibodies by Modified Vaccinia Virus Ankara H5N1 Vaccine
ανά: Rory D. de Vries, κ.ά.
Έκδοση: (2015-06-01)

Temporal Dynamics of Influenza A(H5N1) Subtype before and after the Emergence of H5N8
ανά: Fatma Amer, κ.ά.
Έκδοση: (2021-08-01)

REACTIONS OF N+ AND H-3+ WITH THE STRUCTURAL ISOMERS OF C2H2CL2
ανά: Rebrion, C, κ.ά.
Έκδοση: (1988)

Estimation of the Basic Reproduction Numbers of the Subtypes H5N1, H5N8, and H5N6 During the Highly Pathogenic Avian Influenza Epidemic Spread Between Farms
ανά: Woo-Hyun Kim, κ.ά.
Έκδοση: (2021-06-01)

SYNTHESIS AND ANTIRADICAL PROPERTIES OF DERIVATIVES OF N, N'-DIPHENYL-N-(3,4-DIHYDRO-2H-5-PYRROLE) CARBAMIDE
ανά: A. M. Demchenko, κ.ά.
Έκδοση: (2015-02-01)

Generation of candidate H5N1 and H9N2 influenza vaccines for pandemic preparedness
ανά: Subbarao, K, κ.ά.
Έκδοση: (2001)