Sage Journals: Discover world-class research

Retricted access

Research article

First published 2014-1

Computational study of the transition state of the 2,4-dimethyl-2,4-pentanediol pyrolysis reaction in gas phase by ab initio methods

E. Echeverría, J.A. Guaregua

Journal of Computational Methods in Sciences and Engineering

Free access

Research article

First published 2003-9

Ab Initio Study of Conformational Properties of ( Z,Z,Z )-Cyclonona-1,3,6-Triene

Davood Nori-Shargh, Mostafa Mohammadpour Amini, Saeed Jameh-Bozorghi [...]

Journal of Chemical Research

Free access

Research article

First published 2001-6

Ab Initio Study of Conformational Properties of ( Z,E,Z )-Cyclonona-1,3,5-Triene

Issa Yavari, Behrooz Adib, K. Zare

Journal of Chemical Research

Free access

Research article

First published 2005-8

Ab Initio Study of Geminal Steric Hindrance Effects on the Stability of Conformations of Cyclohexane Derivatives

Davood Nori-Shargh, Mostafa Mohamadpour Amini, Maryam Jafari [...]

Journal of Chemical Research

Retricted access

Research article

First published 2007-5

Ab initio investigation on the nonlinear optical properties of silicon clusters Si n (n=3–8)

Benoît Champagne, Maxime Guillaume, Didier Bégué [...]

Journal of Computational Methods in Sciences and Engineering

Retricted access

Research article

First published 2004-8

Ab initio determination of the interaction hyperpolarizability for the H-bond complex NH 3 -HF

Wu Di, Li Zhi-Ru, Ding Yi-Hong [...]

Journal of Computational Methods in Sciences and Engineering

Retricted access

Research article

First published 2010-5

Ab initio and DFT study of the static dipole (hyper)polarizabilities of benzaldehyde and thio-benzaldehyde molecules in gas phase

Humberto Soscún

Journal of Computational Methods in Sciences and Engineering

Free access

Research article

First published 2008-9

Essential oil Composition of Dendropanax Gonatopodus from Monteverde,Costa Rica. An ab Initio Examination of Aromadendrane Sesquiterpenoids

William N. Setzer

Natural Product Communications

Retricted access

Research article

First published 2012-7

A computational analysis of non-covalent interactions between aromatic compounds

L. Puerta, M. Lozada, H. Labrador Sánchez [...]

Journal of Computational Methods in Sciences and Engineering

Free access

Research article

First published 2012-9

Computation of Rate Constants for Some Chlorination Reactions of Mercury Atoms during Combustion

Wang Qing, Yang Bowen, Bai Jingru

Progress in Reaction Kinetics and Mechanism

Search results