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Q-Chem

Q-Chem is a general-purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms… 
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ADF InfoAb initio quantum chemistry methodsAnna KrylovCHARMM

Papers overview

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Highly Cited
2001
Highly Cited
2001
Formation of Silver Nanowires in Aqueous Solutions of a Double-Hydrophilic Block Copolymer
A novel, wet chemical approach is reported for the facile synthesis of silver nanowires with diameters in the range of 20−40 nm… 
Highly Cited
1999
Highly Cited
1999
Consistent modifications of SINDO1: I. Approximations and parameters
A consistent modification, MSINDO, of the semiempirical MO method SINDO1 is presented. Different basis sets are used for one‐ and… 
Highly Cited
1998
Highly Cited
1998
Triblock-Copolymer-Directed Syntheses of Large-Pore Mesoporous Silica Fibers
Mesoporous silica fibers with accessible, highly ordered large periodic pores are directly drawn from a highly viscous surfactant… 
Highly Cited
1989
Highly Cited
1989
2,3,7,8,12,13,17,18-Octakis(.beta.-hydroxyethyl)porphyrin (octaethanolporphyrin) and its liquid crystalline derivatives: synthesis and characterization
A synthesis is reported of 2,3,7,8,12,13,17,18-octakis({beta}-hydroxyethyl)porphyrin (octaethanolporphyrin) and a series of its… 
Highly Cited
1981
Highly Cited
1981
Model Calculations of Potential Surfaces of van der Waals Complexes Containing Large Aromatic Molecules
In this paper we report the results of model calculations of the nuclear potential surfaces of van der Waals complexes consisting… 
Highly Cited
1981
Highly Cited
1981
The structure of CC-1065, a potent antitumor agent and its binding to DNA
The crystal and molecular structure of a potent antitumor agent, CC1065 (C37H33N708), has been determined, and circular dichroism… 
Highly Cited
1944
Highly Cited
1944
DETERMINATION OF CITRULLINE AND ALLANTOIN AND DEMONSTRATION OF CITRULLINE IN BLOOD PLASMA
Highly Cited
1942
Highly Cited
1942
The estimation of serum inorganic phosphate and " acid " and " alkaline " phosphatase activity.
Highly Cited
1941
Highly Cited
1941
GASOMETRIC DETERMINATION OF CARBOXYL GROUPS IN FREE AMINO ACIDS
Highly Cited
1934
Highly Cited
1934
THE IONIZATION OF CALCIUM, MAGNESIUM, AND STRONTIUM CITRATES
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