Experimental and DFT investigation on N-functionalized biochars for enhanced removal of Cr(VI)

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations

Natural Sciences, Chemistry, Physics +16

A new mixing of Hartree–Fock and local density-functional theories

Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations

Natural Sciences, Chemistry, Physics +11

6-31G* basis set for atoms K through Zn

Vitaly A. Rassolov, John A. Pople, Mark A. Ratner et al. · The Journal of Chemical Physics · 1998 · 2.1K citations

Natural Sciences, Chemistry, Physics +15

Impact of pyrolysis temperature and manure source on physicochemical characteristics of biochar

Keri B. Cantrell, P. G. Hunt, Minori Uchimiya et al. · Bioresource Technology · 2011 · 1.5K citations

Agriculture, Biosystems Engineering, Soil Sciences +15

Effects of pyrolysis temperature on soybean stover- and peanut shell-derived biochar properties and TCE adsorption in water

Mahtab Ahmad, Sang Soo Lee, Xiaomin Dou et al. · Bioresource Technology · 2012 · 1.3K citations

Engineering, Agricultural Engineering, Agricultural Processing Engineering +11