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Volume 111; Issue 20
Main
Molecular Physics
Volume 111; Issue 20
Molecular Physics
Volume 111; Issue 20
1
Weighted density Lattice Boltzmann approach to fluids under confinement
Marconi, Umberto Marini Bettolo
,
Melchionna, Simone
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 436 KB
Your tags:
english, 2013
2
Nanoscale simulation of Na-Montmorillonite hydrate under basin conditions, application of CLAYFF force field in parallel GCMC
Shahriyari, R.
,
Khosravi, A.
,
Ahmadzadeh, A.
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 1.77 MB
Your tags:
english, 2013
3
Effects of partial charge-transfer solute – solvent interactions in absorption spectra of aromatic hydrocarbons in aqueous and alcoholic solutions
Ar’ev, I.A.
,
Lebovka, N.I.
,
Solovieva, E.A.
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 95 KB
Your tags:
english, 2013
4
Prediction of the 1 H NMR spectra of epoxy-fused cyclopentane derivatives by calculations of chemical shifts and spin–spin coupling constants
Özen, C.
,
Yıldırım, A.
,
Tüzün, N. Ş.
,
Haslak, P.
,
Doğan, E.
,
Acar, E.
,
Aviyente, V.
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 806 KB
Your tags:
english, 2013
5
Isolated ultrashort attosecond pulse generation from a coherent superposition state in a few-cycle chirped laser pulse
Zhang, Gang-Tai
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 538 KB
Your tags:
english, 2013
6
Demixing and nematic behaviour of oblate hard spherocylinders and hard spheres mixtures: Monte Carlo simulation and Parsons–Lee theory
Gámez, Francisco
,
Acemel, Rafael D.
,
Cuetos, Alejandro
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 702 KB
Your tags:
english, 2013
7
A bond, ring and cage resolved Poincaré–Hopf relationship for isomerisation reaction pathways
Jenkins, Samantha
,
Liu, Zeyu
,
Kirk, Steven R.
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 651 KB
Your tags:
english, 2013
8
Theoretical study on the mechanism for NH 3 BH 3 reduction of ketones and imines
Wang, Xu
,
Yao, Wei
,
Zhou, Danhong
,
Fan, Hongjun
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 3.24 MB
Your tags:
english, 2013
9
Announcement of the winner of the Longuet-Higgins Young Author's Prize 2012
Softley, Tim
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 135 KB
Your tags:
english, 2013
10
How universal are hydrogen bond correlations? A density functional study of intramolecular hydrogen bonding in low-energy conformers of α-amino acids
Ramaniah, Lavanya M.
,
Kamal, C.
,
Kshirsagar, Rohidas J.
,
Chakrabarti, Aparna
,
Banerjee, Arup
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 1.14 MB
Your tags:
english, 2013
11
Addition complex and insertion isomers on the potential energy surface of the reaction of indium dimer with water studied with relativistic ECP
Moc, Jerzy
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 647 KB
Your tags:
english, 2013
12
Opto-electronic properties of low band gap fused-ring thieno[3,4-b]pyrazine analogues – A theoretical study
Saranya, G.
,
Kolandaivel, P.
,
Senthilkumar, K.
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 505 KB
Your tags:
english, 2013
13
Bulk-phase thermodynamic properties and dielectric constant of ethanol: an ab initio quantum mechanical approach combined with a statistical model
Pandey, Prasenjit
,
Chakraborty, Tanmoy
,
Mukherjee, Asok K.
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 385 KB
Your tags:
english, 2013
14
Calculations of electron collision and ionisation of rare gas dimers
Goswami, Biplab
,
Naghma, Rahla
,
Antony, Bobby
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 558 KB
Your tags:
english, 2013
15
Closed loops theory on the third-order nonlinear optical property of α - and β - isomers of [M 8 O 26 ] 4− : a TDDFT study
Li, Fujun
,
Hu, Xiaojun
,
Sa, Rongjian
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 362 KB
Your tags:
english, 2013
16
Mechanical properties, anisotropy and hardness of group IVA ternary spinel nitrides
Ding, Ying-Chun
,
Chen, Min
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 768 KB
Your tags:
english, 2013
17
Author Profile
Agio, Mario
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 70 KB
Your tags:
english, 2013
18
Ultrafast coherent nanoscopy
Chen, Xue-Wen
,
Mohammadi, Ahmad
,
Ghasemi, Amir Hossein Baradaran
,
Agio, Mario
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 502 KB
Your tags:
english, 2013
19
Molecular Physics Longuet-Higgins Young Author's Prize 2012 Winner Profile
Wiederkehr, Alex William
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 73 KB
Your tags:
english, 2013
20
Linear and non-linear optical properties of hetero-cyclic aromatic polymers
Das, Mousumi
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 1.12 MB
Your tags:
english, 2013
21
Announcement of a new editor
Journal:
Molecular Physics
Year:
2013
Language:
english
File:
PDF, 184 KB
Your tags:
english, 2013
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