NBO-Affiliated Electronic Structure Systems

and Protected Interfaces


System

(*)

Vendor/Distributor

Jaguar

(1)

Schrodinger, Inc.

Q-Chem

(1)

Q-Chem, Inc.

PQS

(1)

Parallel Quantum Systems

NWChem

(1)

Pacific Northwest National Laboratories

ADF

(1)

Scientific Computing & Modelling N.V.

PC GAMESS

(2)

Alex A. Granovsky, Moscow State University

GAMESS(U.S.)

(3)

Ames Laboratories, Iowa State University

Gaussian 98

(4)

Gaussian, Inc.


(1) NBO 5.0 is/will be included.
(2) NBO 5.0 included, but requires NBO password from TCI/NBO Software
(3) Protected interface; requires linking to NBO 5.0 from TCI/NBO Software.
(4) NBO 3.1 included, but can be upgraded with NBO 5.0 from TCI/NBO Software.

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