Structures, Vibrational Frequency Shifts and Photodissociation Dynamics of ArnHF van der Waals Clusters

Theory of Atomic and Molecular Clusters - Springer Series in Cluster Physics ◽

10.1007/978-3-642-58389-6_3 ◽

1999 ◽

pp. 54-85 ◽

Author(s):

Zlatko Bačić

Keyword(s):

Vibrational Frequency ◽

Van Der Waals ◽

Frequency Shifts ◽

Van Der Waals Clusters ◽

Vibrational Frequency Shifts

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ArnHF (n = 1–4) van der Waals clusters: a quantum Monte Carlo study of ground state energies, structures and HF vibrational frequency shifts

Chemical Physics Letters ◽

10.1016/s0009-2614(96)00124-8 ◽

1996 ◽

Vol 252 (1-2) ◽

pp. 23-32 ◽

Author(s):

Parhat Niyaz ◽

Zlatko Bačić ◽

Jules W. Moskowitz ◽

Kevin E. Schmidt

Keyword(s):

Monte Carlo ◽

Ground State ◽

Quantum Monte Carlo ◽

Vibrational Frequency ◽

Van Der Waals ◽

Monte Carlo Study ◽

Frequency Shifts ◽

Van Der Waals Clusters ◽

Ground State Energies ◽

Vibrational Frequency Shifts

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ArnHF van der Waals clusters revisited: II. Energetics and HF vibrational frequency shifts from diffusion Monte Carlo calculations on additive and nonadditive potential-energy surfaces for n=1-12

The Journal of Chemical Physics ◽

10.1063/1.1991856 ◽

2005 ◽

Vol 123 (5) ◽

pp. 054305 ◽

Author(s):

Hao Jiang ◽

Minzhong Xu ◽

Jeremy M. Hutson ◽

Zlatko Bačić

Keyword(s):

Monte Carlo ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Vibrational Frequency ◽

Van Der Waals ◽

Diffusion Monte Carlo ◽

Frequency Shifts ◽

Van Der Waals Clusters ◽

Monte Carlo Calculations ◽

Energy Surfaces

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Vibrational frequency shifts of fluid nitrogen up to ultrahigh temperatures and pressures

The Journal of Physical Chemistry ◽

10.1021/j100112a036 ◽

1993 ◽

Vol 97 (10) ◽

pp. 2307-2313 ◽

Author(s):

George S. Devendorf ◽

Dor Ben-Amotz

Keyword(s):

Vibrational Frequency ◽

Frequency Shifts ◽

Vibrational Frequency Shifts

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Electrostatics and Dispersion in X–H···Y (X = C, N, O; Y = N, O) Hydrogen Bonds and Their Role in X–H Vibrational Frequency Shifts

ACS Omega ◽

10.1021/acsomega.8b01802 ◽

2018 ◽

Vol 3 (12) ◽

pp. 18518-18527 ◽

Author(s):

Saumik Sen ◽

G. Naresh Patwari

Keyword(s):

Hydrogen Bonds ◽

Vibrational Frequency ◽

Frequency Shifts ◽

Vibrational Frequency Shifts

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Vibrational frequency shifts and thermodynamic stabilities of (HF)n isomers (n=4–8)

Chemical Physics Letters ◽

10.1016/0009-2614(95)01006-u ◽

1995 ◽

Vol 245 (4-5) ◽

pp. 319-325 ◽

Author(s):

Friedrich Huisken ◽

Elena G. Tarakanova ◽

Andrei A. Vigasin ◽

Georgy V. Yukhnevich

Keyword(s):

Vibrational Frequency ◽

Frequency Shifts ◽

Vibrational Frequency Shifts

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Theoretical studies of vibrational frequency shifts upon hydrogen bonding. The carbonyl stretching mode in complexes of formaldehyde

Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics ◽

10.1039/f29888400893 ◽

1988 ◽

Vol 84 (7) ◽

pp. 893 ◽

Author(s):

Xiao Q. Lewell ◽

Ian H. Hillier ◽

Martin J. Field ◽

Jeffrey J. Morris ◽

Peter J. Taylor

Keyword(s):

Hydrogen Bonding ◽

Vibrational Frequency ◽

Theoretical Studies ◽

Frequency Shifts ◽

Vibrational Frequency Shifts

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Vibrational frequency shifts for isotopes of hexacarbonylchromium

Inorganic Chemistry ◽

10.1021/ic50159a060 ◽

1976 ◽

Vol 15 (5) ◽

pp. 1244-1245 ◽

Author(s):

Llewellyn H. Jones

Keyword(s):

Vibrational Frequency ◽

Frequency Shifts ◽

Vibrational Frequency Shifts

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Molecular-Level Mechanisms of Vibrational Frequency Shifts in a Polar Liquid

The Journal of Physical Chemistry B ◽

10.1021/jp201591c ◽

2011 ◽

Vol 115 (23) ◽

pp. 7597-7605 ◽

Author(s):

Christine M. Morales ◽

Ward H. Thompson

Keyword(s):

Vibrational Frequency ◽

Molecular Level ◽

Polar Liquid ◽

Frequency Shifts ◽

Vibrational Frequency Shifts

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Structures, Energetics and Vibrational Frequency Shifts of Hydrated Pyrimidine

ChemPhysChem ◽

10.1002/cphc.201100457 ◽

2011 ◽

Vol 12 (17) ◽

pp. 3262-3273 ◽

Author(s):

J. Coleman Howard ◽

Nathan I. Hammer ◽

Gregory S. Tschumper

Keyword(s):

Vibrational Frequency ◽

Frequency Shifts ◽

Vibrational Frequency Shifts

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(H2O)2(g): Monomer/dimer vibrational frequency shifts in Bopp–Jancsó–Heinzinger‐ and Matsuoka–Clementi–Yoshimine–Lie‐type flexible potentials

The Journal of Chemical Physics ◽

10.1063/1.460304 ◽

1991 ◽

Vol 94 (1) ◽

pp. 814-815 ◽

Author(s):

Zdenĕk Slanina

Keyword(s):

Vibrational Frequency ◽

Frequency Shifts ◽

Vibrational Frequency Shifts

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