Density functional study of hydrogen-bonded acetonitrile-water complex

International Journal of Quantum Chemistry ◽

10.1002/qua.20357 ◽

2005 ◽

Vol 102 (1) ◽

pp. 106-111 ◽

Author(s):

Ajay Chaudhari ◽

Shyi-Long Lee

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Water Complex ◽

Hydrogen Bonded

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Equilibrium structure of the carbon dioxide-water complex in the gas phase: an ab initio and density functional study

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04770-7 ◽

1997 ◽

Vol 390 (1-3) ◽

pp. 157-167 ◽

Author(s):

Martina Kieninger ◽

Oscar N. Ventura

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Gas Phase ◽

Density Functional ◽

Equilibrium Structure ◽

Functional Study ◽

Density Functional Study ◽

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Density Functional Study of Hydrogen-Bonded Systems: The Water−Carbon Monoxide Complex

The Journal of Physical Chemistry A ◽

10.1021/jp963727b ◽

1997 ◽

Vol 101 (27) ◽

pp. 5004-5009 ◽

Author(s):

Jan Lundell ◽

Zdzislaw Latajka

Keyword(s):

Carbon Monoxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded Systems ◽

Hydrogen Bonded

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The O–H⋯π hydrogen bonded phenol–benzene(+) radical cationic dimer: a gradient-corrected density functional study

Chemical Physics Letters ◽

10.1016/s0009-2614(02)00465-7 ◽

2002 ◽

Vol 358 (5-6) ◽

pp. 368-376 ◽

Author(s):

Ljupčo Pejov

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded

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The O–H stretching vibrations in the hydrogen bonded (PHENOL)2+ radical cationic dimer. A gradient-corrected hybrid Hartree–Fock-density functional study

Chemical Physics Letters ◽

10.1016/s0009-2614(03)00819-4 ◽

2003 ◽

Vol 376 (1-2) ◽

pp. 11-19 ◽

Author(s):

Ljupčo Pejov

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hartree Fock ◽

Stretching Vibrations ◽

Hydrogen Bonded

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Density functional study on chirospectra of hydrogen-bonded systems X − (H 2 O) 3 ( X = F, Cl, Br, I)

Chinese Physics B ◽

10.1088/1674-1056/19/4/043601 ◽

2010 ◽

Vol 19 (4) ◽

pp. 043601 ◽

Author(s):

Mang Chao-Yong ◽

Li Zhen-Gui ◽

Wu Ke-Chen

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded Systems ◽

Hydrogen Bonded

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A density functional study of the effect of reduction on the geometry and electron affinity of hydrogen bonded 1,4-benzoquinone. Implications for quinone reduction and protonation in photosynthetic reaction centres

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00643-x ◽

1997 ◽

Vol 274 (1-3) ◽

pp. 251-254 ◽

Author(s):

Patrick J. O'Malley

Keyword(s):

Electron Affinity ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Reaction Centres ◽

Quinone Reduction ◽

Hydrogen Bonded

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The O–H(D) stretching potentials of the hydrogen bonded water molecules in MCl2·2H2O (M∈{Mn, Co, Fe}). Ab initio and density functional study

Journal of Molecular Structure ◽

10.1016/s0022-2860(01)00454-9 ◽

2001 ◽

Vol 565-566 ◽

pp. 427-431 ◽

Author(s):

Lj Pejov ◽

V Stefov ◽

B Šoptrajanov ◽

G Yukhnevich ◽

E Tarakanova

Keyword(s):

Ab Initio ◽

Density Functional ◽

Functional Study ◽

Water Molecules ◽

Density Functional Study ◽

Hydrogen Bonded

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A density functional study of weakly bound hydrogen bonded complexes

Chemical Physics ◽

10.1016/s0301-0104(98)00111-6 ◽

1998 ◽

Vol 232 (3) ◽

pp. 299-306 ◽

Author(s):

Asit K Chandra ◽

Minh Tho Nguyen

Keyword(s):

Density Functional ◽

Functional Study ◽

Weakly Bound ◽

Density Functional Study ◽

Bonded Complexes ◽

Hydrogen Bonded

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Density functional study of a weakly hydrogen-bonded benzene-ammonia complex: The importance of the exchange functional

International Journal of Quantum Chemistry ◽

10.1002/1097-461x(2000)79:5<325::aid-qua6>3.0.co;2-b ◽

2000 ◽

Vol 79 (5) ◽

pp. 325-329 ◽

Author(s):

Christer Enkvist ◽

Yingkai Zhang ◽

Weitao Yang

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Ammonia Complex ◽

Hydrogen Bonded

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Density functional study of strong hydrogen‐bonded systems: The hydrogen diformiate complex

The Journal of Chemical Physics ◽

10.1063/1.471601 ◽

1996 ◽

Vol 104 (21) ◽

pp. 8524-8534 ◽

Author(s):

Péter Süle ◽

Á. Nagy

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Hydrogen Bonded Systems ◽

Hydrogen Bonded

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