3

A Gentle Stochastic Thermostat for Molecular Dynamics

Year:
2009
Language:
english
File:
PDF, 851 KB
english, 2009
14

Is There a Minimum Electrophilicity Principle in Chemical Reactions?

Year:
2007
Language:
english
File:
PDF, 99 KB
english, 2007
15

A Theoretical Study on Chapman Rearrangement

Year:
2010
Language:
english
File:
PDF, 113 KB
english, 2010
16

Bond dissociation energies from a new electronegativity scale

Year:
2009
Language:
english
File:
PDF, 171 KB
english, 2009
18

Relative electrophilicity and aromaticity

Year:
2010
Language:
english
File:
PDF, 221 KB
english, 2010
19

A recursion formula for the coefficients of Dunham potential

Year:
2004
Language:
english
File:
PDF, 85 KB
english, 2004
20

New empirical potential energy function for diatomic molecules

Year:
2004
Language:
english
File:
PDF, 80 KB
english, 2004
22

The atomic and group compressibility

Year:
2005
Language:
english
File:
PDF, 79 KB
english, 2005
25

Minimum electrophilicity principle in photocycloaddition formation of oxetanes

Year:
2007
Language:
english
File:
PDF, 154 KB
english, 2007
29

A new NICS-based aromaticity index; NICS-rate

Year:
2010
Language:
english
File:
PDF, 532 KB
english, 2010
31

QSRR Models to Predict Retention Indices of Cyclic Compounds of Essential Oils

Year:
2010
Language:
english
File:
PDF, 412 KB
english, 2010
33

pKa modelling and prediction of drug molecules through GA-KPLS and L-M ANN

Year:
2012
Language:
english
File:
PDF, 98 KB
english, 2012
36

Prediction of polar surface area of drug molecules: A QSPR approach

Year:
2012
Language:
english
File:
PDF, 91 KB
english, 2012