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3,701 to 3,710 of 7,428 Results

nh3_cluster_143molecules.xyz Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters Plain Text - 16.9 KB - MD5: bc2bad5c0fcd296c99b184da8821af60 Ammonia cluster containing 143 molecules
nh3_cluster_324molecules.xyz Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters Plain Text - 38.7 KB - MD5: 4437c8a88779370a5120e19976beeb4a Ammonia cluster containing 324 molecules
nh3_cluster_40molecules.xyz Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters Plain Text - 4.7 KB - MD5: 4f56b85152e2cffaaecd3549a328b1e9 Ammonia cluster containing 40 molecules
nh3_cluster_579molecules.xyz Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters Plain Text - 70.0 KB - MD5: 5f43c340758a77d3903f80b075dc3ce0 Ammonia cluster containing 579 molecules
nh3_cluster_953molecules.xyz Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters Plain Text - 116.3 KB - MD5: 63e8580e06a3f4bf82b4930ac0db11f0 Ammonia cluster containing 953 molecules
Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study" Apr 21, 2022 Høyvik, Ida-Marie; Wiik, Kristine, 2022, "Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study"", https://doi.org/10.18710/NQKRKJ, DataverseNO, V1 The dataset contains xyz-files with geometries for structures used for calculations in"Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study".
00_ReadMe.txt Apr 21, 2022 - Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study" Plain Text - 2.7 KB - MD5: 30134aad09fdb8fbf1771a7a3f6ce6dd
aci-dmPA-2.xyz Apr 21, 2022 - Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study" Co-Ordinate Animation - 948 B - MD5: 2216b5ef229450ea401f11449cd1d589
aci-dmPA-3.xyz Apr 21, 2022 - Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study" Co-Ordinate Animation - 950 B - MD5: 954ac71c93e7112f8e8f163cd5373675
aci-dmPA-4.xyz Apr 21, 2022 - Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study" Co-Ordinate Animation - 948 B - MD5: 920d271037cb9274120c7ff4adbcc3e5

nh3_cluster_143molecules.xyz

Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters

Plain Text - 16.9 KB -

Ammonia cluster containing 143 molecules

nh3_cluster_324molecules.xyz

Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters

Plain Text - 38.7 KB -

Ammonia cluster containing 324 molecules

nh3_cluster_40molecules.xyz

Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters

Plain Text - 4.7 KB -

Ammonia cluster containing 40 molecules

nh3_cluster_579molecules.xyz

Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters

Plain Text - 70.0 KB -

Ammonia cluster containing 579 molecules

nh3_cluster_953molecules.xyz

Apr 22, 2022 - Crystalline ammonia (space group: P2(1)3) clusters

Plain Text - 116.3 KB -

Ammonia cluster containing 953 molecules

Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study"

Apr 21, 2022

Høyvik, Ida-Marie; Wiik, Kristine, 2022, "Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study"", https://doi.org/10.18710/NQKRKJ, DataverseNO, V1

The dataset contains xyz-files with geometries for structures used for calculations in"Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study".

00_ReadMe.txt

Apr 21, 2022 - Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study"

Plain Text - 2.7 KB -

aci-dmPA-2.xyz

Apr 21, 2022 - Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study"

Co-Ordinate Animation - 948 B -

aci-dmPA-3.xyz

Apr 21, 2022 - Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study"

Co-Ordinate Animation - 950 B -

aci-dmPA-4.xyz

Apr 21, 2022 - Structures used for "Unimolecular Decomposition Reactions of Picric Acid and its Methylated Derivatives — A DFT Study"

Co-Ordinate Animation - 948 B -

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