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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Apr-2024 | CargillepoxoniumAlCl2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -2058.20502056; Eh | |||
 | 11-Apr-2024 | CargillfinalprodbAlCl2altconf_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -2058.23102406; Eh | |||
 | 11-Apr-2024 | CargillReactantAlCl2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -2058.20097131; Eh | |||
 | 11-Apr-2024 | CargillReactantH_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -855.621599134; Eh | |||
 | 11-Apr-2024 | CargillIntbH_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -855.622082803; Eh | |||
 | 11-Apr-2024 | CargillIntaH_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -855.621262329; Eh | |||
 | 23-Apr-2024 | BiocplusTSscanMIN_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -808.289911210; Eh | |||
 | 23-Apr-2024 | BiocplusTSscan_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -808.289494820; Eh | |||
 | 23-Apr-2024 | BiobAgain2_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -808.249365304; Eh | |||
 | 23-Apr-2024 | Biocplus_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RmPW1PW91 | 6-31+G(D,P) | -808.293093009; Eh |
Results 31-40 of 57 (Search time: 0.001 seconds).