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Volume 112; Issue 1
Main
Molecular Physics
Volume 112; Issue 1
Molecular Physics
Volume 112; Issue 1
1
Theoretical characterisation of highly efficient dye-sensitised solar cells
Shalabi, A.S.
,
El Mahdy, A.M.
,
Assem, M.M.
,
Taha, H.O.
,
Abdel Halim, W.S.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 799 KB
Your tags:
english, 2014
2
Investigation into the Gaussian time-dependence of the rate coefficient in dispersive kinetic models applied to simple gas-phase chemical reactions
Skrdla, Peter J.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 213 KB
Your tags:
english, 2014
3
Quantum chemical studies on (ZnO) n /(NiO) n heterostructured nanoclusters
Chandiramouli, R.
,
Sriram, S.
,
Balamurugan, D.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 1.58 MB
Your tags:
english, 2014
4
Chemical potential, Helmholtz free energy and entropy of argon with kinetic Monte Carlo simulation
Fan, C.
,
Do, D.D.
,
Nicholson, D.
,
Ustinov, E.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 2.01 MB
Your tags:
english, 2014
5
Variation of reactivity of aziridinium ion during alkylation
Sinha, Sourab
,
Bhattacharyya, Pradip Kr.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 599 KB
Your tags:
english, 2014
6
Visualising many-body electron dynamics using one-body densities and orbitals
Dutoi, Anthony D.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 415 KB
Your tags:
english, 2014
7
Dimers and trimers of polycyclic aromatic hydrocarbons as models of graphene bilayers and trilayers: enhanced electron density at the edges
Yadav, Amarjeet
,
Mishra, P.C.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 393 KB
Your tags:
english, 2014
8
An improvement on - exponential type orbitals for atoms in standard convention
Guseinov, I.I.
,
Sahin, E.
,
Erturk, M.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 174 KB
Your tags:
english, 2014
9
Ramsey terms for two-, three-, and four-bond coupling involving 15 N and 17 O in hydrogen-bonded and nonhydrogen-bonded systems: are coupling constants sensitive to RAHBs?
Elguero, José
,
Alkorta, Ibon
,
Del Bene, Janet E.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 409 KB
Your tags:
english, 2014
10
Molecular dynamic simulations of elastomer structure and its influence on anisotropic stress under time-varying strain
Srivastava, Prashant Kumar
,
Venkatraman, Kartik
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 899 KB
Your tags:
english, 2014
11
Electron impact total cross section calculations for CH 3 SH (methanethiol) from threshold to 5 keV
Limbachiya, Chetan
,
Vinodkumar, Minaxi
,
Swadia, Mohit
,
Barot, Avani
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 254 KB
Your tags:
english, 2014
12
Theoretical and experimental investigation on enhanced thermal behaviour in chunk-shaped nano ZnO
Rajamanickam, N.
,
Rajashabala, S.
,
Ramachandran, K.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 559 KB
Your tags:
english, 2014
13
Thermodynamic properties and the approximate solutions of the Schrödinger equation with the shifted Deng–Fan potential model
Oyewumi, K.J.
,
Falaye, B.J.
,
Onate, C.A.
,
Oluwadare, O.J.
,
Yahya, W.A.
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 1.11 MB
Your tags:
english, 2014
14
Relationship between cation–π and anion–π interactions: individual binding energies in the π–M z+ –π–X − –π system
Ebrahimi, Ali
,
Habibi Khorassani, Sayyed Mostafa
,
Behazin, Roya
,
Rezazadeh, Shiva
,
Azizi, Abolfazl
,
Karimi, Pouya
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 195 KB
Your tags:
english, 2014
15
Ion hydration and hydrogen bond structure in NaCl solutions at temperatures and pressures for carbon dioxide sequestration: the effects of solvated CO 2 molecules
Chen, Cong
,
Zhang, Kun
,
Wang, Ping
,
Li, Wei Zhong
,
Song, Yong Chen
,
Zhang, Ning
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 1.90 MB
Your tags:
english, 2014
16
Theoretical analysis of spin-Hamiltonian parameters for the rhombic Cu 2+ centres in CuGaSe 2 crystals
Feng, Wen-Lin
,
Zheng, Wen-Chen
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 83 KB
Your tags:
english, 2014
17
Ab initio study of PN electronic states – a qualitative interpretation of the perturbation and predissociation effects on observed transitions
Abbiche, Khalid
,
Salah, Mohammed
,
Marakchi, Khadija
,
Kabbaj, Oum Keltoum
,
Komiha, Najia
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 749 KB
Your tags:
english, 2014
18
Author Profile
Dutoi, Anthony
Journal:
Molecular Physics
Year:
2014
Language:
english
File:
PDF, 79 KB
Your tags:
english, 2014
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