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Item hits:
Issue Date
Title
Author(s)
1998-12
Evaluation of analytic molecular orbital derivatives and gradients using the effective valence shell Hamiltonian method
Chaudhuri, R. K
;
Stevens, J. E
;
Freed, K. F
2008-08
Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approach
Chaudhuri, R. K
;
Hammond, J. R
;
Freed, K. F
;
Chattopadhyay, S
;
Mahapatra, U. S
2010-01
Molecular applications of analytical gradient approach for the improved virtual orbital-complete active space configuration interaction method
Chaudhuri, R. K
;
Chattopadhyay, S
;
Mahapatra, U. S
;
Freed, K. F
Discover
Author
3
Chaudhuri, R. K
3
Freed, K. F
2
Chattopadhyay, S
2
Mahapatra, U. S
1
Hammond, J. R
1
Stevens, J. E
Subject
3
Perturbation Theory
2
Ground States
2
Orbital Calculations
2
Organic Compounds
2
Potential Energy Surfaces
1
Density Functional Theory
1
Density-Functional Theory
1
Excited Electronic States
1
Excited States
1
Gradient Methods
.
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Date issued
2
2000 - 2010
1
1998 - 1999
Has File(s)
3
true