Journal of Computational Chemistry

Journal Abbreviation: J COMPUT CHEM
ISSN: 0192-8651
Publisher: Wiley-Blackwell



Publications

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Superhalogen and Superacid (2019)
Kulsha AV, Sharapa D

Volume: 38, Pages range: 518-522
Predicting core level binding energies shifts: Suitability of the projector augmented wave approach as implemented in VASP (2017)
Pueyo Bellafont N, Vines F, Hieringer W, et al.

Journal issue: 15, Volume: 32, Pages range: 3329-3338
DynamO: A free O(N) general event-driven molecular dynamics simulator (2011)
Bannerman M, Lue L, Sargant R

Journal issue: 5, Volume: 25, Pages range: 725-733
Enthalpies of formation from B3LYP calculations (2004)
Winget P, Clark T

Journal issue: 8, Volume: 24, Pages range: 948-953
The structure and stability of Si-60 and Ge-60 cages: A computational study (2003)
Chen Z, Jiao H, Horn A, et al.

Journal issue: 1, Volume: 18, Pages range: 28-44
Empirical force-field and ab initio calculations on delocalized open chain cations (1997)
Clark T, Schleyer P

Journal issue: 6, Volume: 18, Pages range: 744-756
VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods (1997)
Beck B, Clark T, Glen R

Journal issue: 12, Volume: 17, Pages range: 1406-1430
A new method for empirical force field calculations on localized and delocalized carbocations (1996)
Clark T, Schleyer P

Journal issue: 10, Volume: 15, Pages range: 1064-1073
THE NATURAL ATOMIC ORBITAL POINT-CHARGE MODEL FOR PM3 - MULTIPOLE MOMENTS AND MOLECULAR ELECTROSTATIC POTENTIALS (1994)
Beck B, Rauhut G, Clark T


Last updated on 2015-29-05 at 16:47